2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-phenylsulfanyl-purin-7-yl]ethyl dihydrogen phosphate

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-phenylsulfanyl-purin-7-yl]ethyl dihydrogen phosphate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-8-phenylsulfanyl-purin-7-yl)ethyl dihydrogen phosphate CAS Name: 2-[1,3-dimethyl-2,6-dioxo-8-(phenylthio)-7-purinyl]ethyl dihydrogen phosphate IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-8-phenylsulfanylpurin-7-yl)ethyl dihydrogen phosphate Traditional Name: 2-[2,6-diketo-1,3-dimethyl-8-(phenylthio)purin-7-yl]ethyl dihydrogen phosphate Formula: C15H17N4O6PS MolecularWeight: 412.357441

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=CC=C3)CCOP(=O)(O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=CC=C3)CCOP(=O)(O)O

InChI

InChI=1S/C15H17N4O6PS/c1-17-12-11(13(20)18(2)15(17)21)19(8-9-25-26(22,23)24)14(16-12)27-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,22,23,24)