3-methyl-8-[(3-methylphenyl)methylsulfanyl]-7-pentyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[(3-methylphenyl)methylsulfanyl]-7-pentyl-purine-2,6-dione Openeye Name: 3-methyl-8-(m-tolylmethylsulfanyl)-7-pentyl-purine-2,6-dione CAS Name: 3-methyl-8-[(3-methylphenyl)methylthio]-7-pentylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(3-methylphenyl)methylsulfanyl]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-[(3-methylbenzyl)thio]xanthine Formula: C19H24N4O2S MolecularWeight: 372.48446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC3=CC=CC(=C3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCC3=CC=CC(=C3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H24N4O2S/c1-4-5-6-10-23-15-16(22(3)18(25)21-17(15)24)20-19(23)26-12-14-9-7-8-13(2)11-14/h7-9,11H,4-6,10,12H2,1-3H3,(H,21,24,25)