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

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(3-phenylpropylsulfanyl)purine-2,6-dione Openeye Name: 3-methyl-7-(m-tolylmethyl)-8-(3-phenylpropylsulfanyl)purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(3-phenylpropylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(3-phenylpropylsulfanyl)purine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbenzyl)-8-(3-phenylpropylthio)xanthine Formula: C23H24N4O2S MolecularWeight: 420.52726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2SCCCC4=CC=CC=C4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2SCCCC4=CC=CC=C4)N(C(=O)NC3=O)C

InChI

InChI=1S/C23H24N4O2S/c1-16-8-6-11-18(14-16)15-27-19-20(26(2)22(29)25-21(19)28)24-23(27)30-13-7-12-17-9-4-3-5-10-17/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,25,28,29)