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

Systemtic Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(m-tolylmethyl)-8-(m-tolylmethylsulfanyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[(3-methylphenyl)methylthio]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[(3-methylphenyl)methylsulfanyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-[(3-methylbenzyl)thio]xanthine Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2SCC4=CC=CC(=C4)C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2SCC4=CC=CC(=C4)C)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C23H24N4O2S/c1-15-7-5-9-17(11-15)13-27-19-20(25(3)23(29)26(4)21(19)28)24-22(27)30-14-18-10-6-8-16(2)12-18/h5-12H,13-14H2,1-4H3