[5-(4-azanyl-2-oxidanylidene-5-sulfanyl-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-5-sulfanyl-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate Openeye Name: [5-(4-amino-2-oxo-5-sulfanyl-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate CAS Name: [5-(4-amino-5-mercapto-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl phosphate IUPAC Name: [5-(4-amino-2-oxo-5-sulfanylpyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate Traditional Name: [5-(4-amino-2-keto-5-mercapto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate Formula: C9H12N3O8PS-2 MolecularWeight: 353.245641

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)([O-])[O-])O)O)N)S

Isomeric SMILES

C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)([O-])[O-])O)O)N)S

InChI

InChI=1S/C9H14N3O8PS/c10-7-4(22)1-12(9(15)11-7)8-6(14)5(13)3(20-8)2-19-21(16,17)18/h1,3,5-6,8,13-14,22H,2H2,(H2,10,11,15)(H2,16,17,18)/p-2