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

Systemtic Name: 8-[(2-chlorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-[(2-chlorophenyl)methylsulfanyl]-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-[(2-chlorophenyl)methylthio]-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-[(2-chlorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-[(2-chlorobenzyl)thio]-7-isoamyl-3-methyl-xanthine Formula: C18H21ClN4O2S MolecularWeight: 392.90294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCC3=CC=CC=C3Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCC3=CC=CC=C3Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H21ClN4O2S/c1-11(2)8-9-23-14-15(22(3)17(25)21-16(14)24)20-18(23)26-10-12-6-4-5-7-13(12)19/h4-7,11H,8-10H2,1-3H3,(H,21,24,25)