8-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-3-methyl-purine-2,6-dione CAS Name: 8-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-3-methyl-xanthine Formula: C17H15ClN4O3S MolecularWeight: 390.844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)Cl)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)Cl)CC=C

InChI

InChI=1S/C17H15ClN4O3S/c1-3-8-22-13-14(21(2)16(25)20-15(13)24)19-17(22)26-9-12(23)10-4-6-11(18)7-5-10/h3-7H,1,8-9H2,2H3,(H,20,24,25)