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

Systemtic Name: 3-methyl-8-[(4-methylphenyl)methylsulfanyl]-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 3-methyl-7-(3-phenylpropyl)-8-(p-tolylmethylsulfanyl)purine-2,6-dione CAS Name: 3-methyl-8-[(4-methylphenyl)methylthio]-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-[(4-methylphenyl)methylsulfanyl]-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 3-methyl-8-[(4-methylbenzyl)thio]-7-(3-phenylpropyl)xanthine Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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