469717
  -OEChem-05092408122D

 26 27  0     1  0  0  0  0  0999 V2000
    2.0000    2.7265    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    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
    5.4641    0.7265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2735    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2320   -1.8123    0.0000 C   0  0  2  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
    3.2320   -1.8123    0.0000 C   0  0  0  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
    2.8660    1.2265    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    2.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    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
    4.8444   -1.7154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3334   -0.6697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676   -2.3139    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
    2.3291    0.9165    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 15  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 12  1  0  0  0  0
  3 24  1  0  0  0  0
  4 14  2  0  0  0  0
  8  5  1  1  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  2  0  0  0  0
  7 16  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  1  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  2  0  0  0  0
 13 23  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
469717

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
405

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMQAAAAAAAAAAAAAAAAAAAQAAAAAgAAAAAAAAAAAAAAAAHwAQCAAACBThgAYBAANABgCoACJmdACAAAEgAAAICAAIABiBFAAAIQAKUAAARgILIAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-amino-5-fluoro-1-[(2<I>S</I>,5<I>R</I>)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H10FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h1-3,5,7,14H,4H2,(H2,11,12,15)/t5-,7+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HSBKFSPNDWWPSL-VDTYLAMSSA-N

> <PUBCHEM_XLOGP3>
-1.3

> <PUBCHEM_EXACT_MASS>
227.07061935

> <PUBCHEM_MOLECULAR_FORMULA>
C9H10FN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
227.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(OC1CO)N2C=C(C(=NC2=O)N)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C[C@H](O[C@H]1CO)N2C=C(C(=NC2=O)N)F

> <PUBCHEM_CACTVS_TPSA>
88.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
227.07061935

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  15  8
15  16  8
5  13  8
5  14  8
8  5  5
6  14  8
6  16  8
9  12  5

$$$$