352938
  -OEChem-04162412402D

 30 31  0     1  0  0  0  0  0999 V2000
    2.4888    2.3021    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -1.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.9766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -3.0457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -2.9412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9529    0.3021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.3021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    1.8021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    3.3021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118   -1.2857    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7208   -2.2367    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2208   -0.6979    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7208   -2.2367    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3086   -3.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    1.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    2.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -1.7241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -2.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684   -0.4164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -2.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -3.3175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -3.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -3.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8179    0.4921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6676   -3.4428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7578    3.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6839    3.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 10  1  0  0  0  0
  3 25  1  0  0  0  0
  4 11  1  0  0  0  0
  4 26  1  0  0  0  0
  5 14  1  0  0  0  0
  5 28  1  0  0  0  0
  6 16  2  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  2  0  0  0  0
  9 18  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
352938

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
426

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOQAAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHwAQCAAACBThgAYBAANABgCoAAJmdACAAAEAAAAAAAAIABCDEAIAgAAOQAAHBgITAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-fluoro-pyrimidin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-fluoro-2-pyrimidinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one

> <PUBCHEM_IUPAC_NAME>
4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-azanyl-5-fluoranyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-amino-1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-5-fluoro-pyrimidin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)

> <PUBCHEM_IUPAC_INCHIKEY>
STRZQWQNZQMHQR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-2.1

> <PUBCHEM_EXACT_MASS>
261.07609865

> <PUBCHEM_MOLECULAR_FORMULA>
C9H12FN3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
261.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)F

> <PUBCHEM_CACTVS_TPSA>
129

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
261.07609865

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  14  3
15  17  8
17  18  8
10  3  3
11  4  3
12  7  3
7  15  8
7  16  8
8  16  8
8  18  8

$$$$