24066
  -OEChem-03261011582D

 28 29  0     1  0  0  0  0  0999 V2000
    4.5411   -0.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131   -3.5349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.7265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    3.7265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.2735    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9230   -0.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2321   -1.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2321   -1.8123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8198   -2.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2845    0.0080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130   -0.3244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566   -1.1135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256   -1.9412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2969   -2.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8444   -1.7154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338   -2.9681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2505   -2.1754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.5365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7775   -4.0365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.0365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    4.0365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 26  1  0  0  0  0
  3 13  2  0  0  0  0
  7  4  1  6  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  2  0  0  0  0
  6 15  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  6  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24066

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
327

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAQCAAACBThgAYBAANABgCoACJmdACAAAEAAgAIAAAYABCBEAIAgAAOQAAEFgIDAACwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-amino-1-[(2R,5S)-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone

> <PUBCHEM_IUPAC_NAME>
4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-azanyl-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-amino-1-[(2R,5S)-5-methyloltetrahydrofuran-2-yl]pyrimidin-2-one

> <PUBCHEM_NIST_INCHI>
InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1

> <PUBCHEM_NIST_INCHIKEY>
WREGKURFCTUGRC-POYBYMJQSA-N

> <PUBCHEM_XLOGP3>
-1.3

> <PUBCHEM_EXACT_MASS>
211.095691

> <PUBCHEM_MOLECULAR_FORMULA>
C9H13N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
211.21782

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(OC1CO)N2C=CC(=NC2=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)N

> <PUBCHEM_CACTVS_TPSA>
88.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
211.095691

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  6
12  14  8
14  15  8
4  12  8
4  13  8
7  4  6
5  13  8
5  15  8

$$$$