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

Systemtic Name: 3-methyl-7-[(2-methylphenyl)methyl]-8-[(4-methylphenyl)methylamino]purine-2,6-dione Openeye Name: 3-methyl-7-(o-tolylmethyl)-8-(p-tolylmethylamino)purine-2,6-dione CAS Name: 3-methyl-7-[(2-methylphenyl)methyl]-8-[(4-methylphenyl)methylamino]purine-2,6-dione IUPAC Name: 3-methyl-7-[(2-methylphenyl)methyl]-8-[(4-methylphenyl)methylamino]purine-2,6-dione Traditional Name: 3-methyl-7-(2-methylbenzyl)-8-[(4-methylbenzyl)amino]xanthine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC4=CC=CC=C4C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC4=CC=CC=C4C)C(=O)NC(=O)N3C

InChI

InChI=1S/C22H23N5O2/c1-14-8-10-16(11-9-14)12-23-21-24-19-18(20(28)25-22(29)26(19)3)27(21)13-17-7-5-4-6-15(17)2/h4-11H,12-13H2,1-3H3,(H,23,24)(H,25,28,29)