1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(4-methylphenyl)methylamino]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(4-methylphenyl)methylamino]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(p-tolylmethyl)-8-(p-tolylmethylamino)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(4-methylphenyl)methylamino]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[(4-methylphenyl)methylamino]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(4-methylbenzyl)-8-[(4-methylbenzyl)amino]xanthine Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC4=CC=C(C=C4)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC4=CC=C(C=C4)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C23H25N5O2/c1-15-5-9-17(10-6-15)13-24-22-25-20-19(21(29)27(4)23(30)26(20)3)28(22)14-18-11-7-16(2)8-12-18/h5-12H,13-14H2,1-4H3,(H,24,25)