1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-methylsulfanyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-methylsulfanyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-methylsulfanyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(methylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-methylsulfanylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(4-methylbenzyl)-8-(methylthio)xanthine Formula: C16H18N4O2S MolecularWeight: 330.40472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2SC)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2SC)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C16H18N4O2S/c1-10-5-7-11(8-6-10)9-20-12-13(17-15(20)23-4)18(2)16(22)19(3)14(12)21/h5-8H,9H2,1-4H3