7-[(2-chlorophenyl)methyl]-1-methyl-8-(2-methylpropylsulfanyl)-3H-purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1-methyl-8-(2-methylpropylsulfanyl)-3H-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-isobutylsulfanyl-1-methyl-3H-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-1-methyl-8-(2-methylpropylthio)-3H-purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-1-methyl-8-(2-methylpropylsulfanyl)-3H-purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(isobutylthio)-1-methyl-xanthine Formula: C17H19ClN4O2S MolecularWeight: 378.87636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2)C

Isomeric SMILES

CC(C)CSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2)C

InChI

InChI=1S/C17H19ClN4O2S/c1-10(2)9-25-17-20-14-13(15(23)21(3)16(24)19-14)22(17)8-11-6-4-5-7-12(11)18/h4-7,10H,8-9H2,1-3H3,(H,19,24)