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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=CC=CC=C3)N(C(=O)N(C2=O)CCOP(=O)(O)O)C

Isomeric SMILES

CN1C2=C(N=C1SC3=CC=CC=C3)N(C(=O)N(C2=O)CCOP(=O)(O)O)C

InChI

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