azane; [(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-[2-oxidanylidene-4-(phenylmethylsulfanyl)pyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate

Systemtic Name: azane; [(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-[2-oxidanylidene-4-(phenylmethylsulfanyl)pyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate Openeye Name: ammonia; [(2R,3S,4R,5R)-5-(4-benzylsulfanyl-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate CAS Name: ammonia; [(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(phenylmethylthio)-1-pyrimidinyl]-2-oxolanyl]methyl phosphono hydrogen phosphate IUPAC Name: azane; [(2R,3S,4R,5R)-5-(4-benzylsulfanyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate Traditional Name: ammonia; [(2R,3S,4R,5R)-5-[4-(benzylthio)-2-keto-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate Formula: C16H23N3O11P2S MolecularWeight: 527.379842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)N(C=C2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O.N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)N(C=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O.N

InChI

InChI=1S/C16H20N2O11P2S.H3N/c19-13-11(8-27-31(25,26)29-30(22,23)24)28-15(14(13)20)18-7-6-12(17-16(18)21)32-9-10-4-2-1-3-5-10;/h1-7,11,13-15,19-20H,8-9H2,(H,25,26)(H2,22,23,24);1H3/t11-,13-,14-,15-;/m1./s1