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

Systemtic Name: 8-butan-2-ylsulfanyl-7-[(2-chlorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-sec-butylsulfanyl-purine-2,6-dione CAS Name: 8-(butan-2-ylthio)-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-butan-2-ylsulfanyl-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-methyl-8-(sec-butylthio)xanthine Formula: C17H19ClN4O2S MolecularWeight: 378.87636

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCC(C)SC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H19ClN4O2S/c1-4-10(2)25-17-19-14-13(15(23)20-16(24)21(14)3)22(17)9-11-7-5-6-8-12(11)18/h5-8,10H,4,9H2,1-3H3,(H,20,23,24)