[3,4-bis(oxidanyl)-5-(6-oxidanylidene-8-phenylsulfanyl-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [3,4-bis(oxidanyl)-5-(6-oxidanylidene-8-phenylsulfanyl-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [3,4-dihydroxy-5-(6-oxo-8-phenylsulfanyl-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [3,4-dihydroxy-5-[6-oxo-8-(phenylthio)-3H-purin-9-yl]-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [3,4-dihydroxy-5-(6-oxo-8-phenylsulfanyl-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [3,4-dihydroxy-5-[6-keto-8-(phenylthio)-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C16H17N4O8PS MolecularWeight: 456.366941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC3=C(N2C4C(C(C(O4)COP(=O)(O)O)O)O)NC=NC3=O

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC3=C(N2C4C(C(C(O4)COP(=O)(O)O)O)O)NC=NC3=O

InChI

InChI=1S/C16H17N4O8PS/c21-11-9(6-27-29(24,25)26)28-15(12(11)22)20-13-10(14(23)18-7-17-13)19-16(20)30-8-4-2-1-3-5-8/h1-5,7,9,11-12,15,21-22H,6H2,(H,17,18,23)(H2,24,25,26)