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

Systemtic Name: 1-cyclopropyl-3-(3-methylphenyl)-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 1-cyclopropyl-3-(m-tolyl)-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 1-cyclopropyl-3-(3-methylphenyl)-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 1-cyclopropyl-3-(3-methylphenyl)-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 1-cyclopropyl-7-(4-methylbenzyl)-3-(m-tolyl)xanthine Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC(=C4)C)C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC(=C4)C)C5CC5

InChI

InChI=1S/C23H22N4O2/c1-15-6-8-17(9-7-15)13-25-14-24-21-20(25)22(28)27(18-10-11-18)23(29)26(21)19-5-3-4-16(2)12-19/h3-9,12,14,18H,10-11,13H2,1-2H3