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

Systemtic Name: 3-methyl-8-[(3-methylphenyl)methylsulfanyl]-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 3-methyl-8-(m-tolylmethylsulfanyl)-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 3-methyl-8-[(3-methylphenyl)methylthio]-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-[(3-methylphenyl)methylsulfanyl]-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 3-methyl-8-[(3-methylbenzyl)thio]-7-(3-phenylpropyl)xanthine Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C23H24N4O2S/c1-16-8-6-11-18(14-16)15-30-23-24-20-19(21(28)25-22(29)26(20)2)27(23)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)