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

Systemtic Name: [5-[8-[(4-chlorophenyl)methylsulfanyl]-6-oxidanylidene-3H-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [5-[8-[(4-chlorophenyl)methylsulfanyl]-6-oxo-3H-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [5-[8-[(4-chlorophenyl)methylthio]-6-oxo-3H-purin-9-yl]-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [5-[8-[(4-chlorophenyl)methylsulfanyl]-6-oxo-3H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [5-[8-[(4-chlorobenzyl)thio]-6-keto-3H-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C17H18ClN4O8PS MolecularWeight: 504.838581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=C(N2C4C(C(C(O4)COP(=O)(O)O)O)O)NC=NC3=O)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=C(N2C4C(C(C(O4)COP(=O)(O)O)O)O)NC=NC3=O)Cl

InChI

InChI=1S/C17H18ClN4O8PS/c18-9-3-1-8(2-4-9)6-32-17-21-11-14(19-7-20-15(11)25)22(17)16-13(24)12(23)10(30-16)5-29-31(26,27)28/h1-4,7,10,12-13,16,23-24H,5-6H2,(H,19,20,25)(H2,26,27,28)