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

Systemtic Name: 8-[2-(2-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[2-(2-chlorophenyl)-2-oxo-ethyl]sulfanyl-3-methyl-purine-2,6-dione CAS Name: 8-[[2-(2-chlorophenyl)-2-oxoethyl]thio]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-[[2-(2-chlorophenyl)-2-keto-ethyl]thio]-3-methyl-xanthine Formula: C21H17ClN4O3S MolecularWeight: 440.90268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)C3=CC=CC=C3Cl)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)C3=CC=CC=C3Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H17ClN4O3S/c1-25-18-17(19(28)24-20(25)29)26(11-13-7-3-2-4-8-13)21(23-18)30-12-16(27)14-9-5-6-10-15(14)22/h2-10H,11-12H2,1H3,(H,24,28,29)