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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(2-methylallylsulfanyl)purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(2-methylprop-2-enylthio)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-methyl-8-(2-methylallylthio)xanthine Formula: C17H17ClN4O2S MolecularWeight: 376.86048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CC(=C)CSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H17ClN4O2S/c1-10(2)9-25-17-19-14-13(15(23)20-16(24)21(14)3)22(17)8-11-6-4-5-7-12(11)18/h4-7H,1,8-9H2,2-3H3,(H,20,23,24)