7-[(2-chlorophenyl)methyl]-3-methyl-8-phenacylsulfanyl-purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-phenacylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-phenacylsulfanyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(phenacylthio)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-phenacylsulfanylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-methyl-8-(phenacylthio)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=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CC4=CC=CC=C4Cl

InChI

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