790
  -OEChem-02210611222D

 14 15  0     0  0  0  0  0  0999 V2000
    5.2619   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.6147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.9947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    1.2041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  2  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  2  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
790

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQCgY4AAAAAAAAAAAAAAAAAAYAEAACAAAAAAAAABQAAAHgAAgAAAEAABCAgAsAUElgCQyRZxBwGogIAAdKAQly2ogVEBSIBAVCBIQAgIgAAUAEACAAAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,7-dihydropurin-6-one

> <PUBCHEM_IUPAC_CAS_NAME>
3,7-dihydropurin-6-one

> <PUBCHEM_IUPAC_NAME>
3,7-dihydropurin-6-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,7-dihydropurin-6-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,7-dihydropurin-6-one

> <PUBCHEM_NIST_INCHI>
InChI=1/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)/f/h6,8H

> <PUBCHEM_CACTVS_XLOGP>
-0.551

> <PUBCHEM_OPENEYE_MF>
C5H4N4O

> <PUBCHEM_OPENEYE_MW>
136.112

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=NC2=C(N1)C(=O)N=CN2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=NC2=C(N1)C(=O)N=CN2

> <PUBCHEM_CACTVS_TPSA>
70.14

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
8

> <PUBCHEM_SUBSTANCE_ID>
149159

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000068940

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,7-Dihydro-6H-purin-6-one
184856-40-4
25991-07-5
25991-08-6
25991-09-7
39464-15-8
39464-17-0
3H-Purin-6-ol
480-99-9
6(1H)-Purinone
6-Hydroxy-1H-purine
6-Hydroxypurine
6-Oxopurine
6535-89-3
68-94-0
6H-Purin-6-one, 1,7-dihydro-
9H-Purin-6(1H)-one
9H-Purin-6-ol
9H-Purin-6-ol (VAN)
AI3-52242
EINECS 200-697-3
HX
HYPOXANTHINE
Hypoxanthine (VAN) (8CI)
Hypoxanthine enol
NSC 14665
Purin-6(1H)-one
Purin-6(3H)-one
Purin-6-ol
Sarcine
Sarkin
Sarkine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
184856-40-4
25991-07-5
25991-08-6
25991-09-7
39464-15-8
39464-17-0
480-99-9
6535-89-3
68-94-0

> <PUBCHEM_XREF_EXT_ID>
000068940

> <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=000068940

> <PUBCHEM_CID_ASSOCIATIONS>
790  1

> <PUBCHEM_BONDANNOTATIONS>
1  6  8
1  8  8
2  7  8
2  9  8
3  4  8
3  5  8
3  6  8
4  7  8
4  8  8
5  9  8

$$$$