187790
  -OEChem-02210610522D

 32 34  0     1  0  0  0  0  0999 V2000
    6.6648   -1.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3435    0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0873    2.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3452    1.2342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3919   -0.0732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3947    1.5449    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5369   -0.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -2.6332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.3284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.0237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7577    3.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1552    1.8206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.8284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8055    0.7369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -1.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4713   -0.3725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9602    0.2979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7065    2.9857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5394    2.2063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2493    1.8467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7794   -0.1691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7825    1.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5672    3.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7212    1.5674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  1 15  1  0  0  0  0
  1 20  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
 10  3  1  6  0  0  0
  3 16  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  6 14  1  0  0  0  0
  6 18  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  1  0  0  0
  8 25  1  0  0  0  0
  9 15  1  6  0  0  0
  9 19  1  0  0  0  0
  9 26  1  0  0  0  0
 10 19  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
187790

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQC4c8AAAAAAAAAAAAAAAABAYgEAACAAAAAAAAABQAAAHgAAgAAIEADhHAgAsAUGlgAWzBdxBwGogIAAdKAQFy2oAVABWIFAVCDIQAoPgEAeAMMCAAow8GAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one

> <PUBCHEM_IUPAC_CAS_NAME>
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one

> <PUBCHEM_IUPAC_NAME>
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one

> <PUBCHEM_NIST_INCHI>
InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1/f/h13H,11H2

> <PUBCHEM_CACTVS_XLOGP>
-1.379

> <PUBCHEM_OPENEYE_MF>
C10H13N5O4

> <PUBCHEM_OPENEYE_MW>
267.242

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)CO)O

> <PUBCHEM_CACTVS_TPSA>
134.99

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
6

> <PUBCHEM_SUBSTANCE_ID>
765278

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
038559498

> <PUBCHEM_SUBSTANCE_SYNONYM>
38559-49-8

> <PUBCHEM_GENERIC_REGISTRY_NAME>
38559-49-8

> <PUBCHEM_XREF_EXT_ID>
038559498

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=038559498

> <PUBCHEM_CID_ASSOCIATIONS>
187790  1

> <PUBCHEM_BONDANNOTATIONS>
1  13  8
1  15  8
10  3  6
4  13  8
4  5  8
4  6  8
5  12  8
5  15  8
6  14  8
7  12  8
7  14  8
8  17  5
9  15  6

$$$$