3-methyl-7-[(2-methylphenyl)methyl]-8-[(3,3,5-trimethylcyclohexyl)amino]purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2-methylphenyl)methyl]-8-[(3,3,5-trimethylcyclohexyl)amino]purine-2,6-dione Openeye Name: 3-methyl-7-(o-tolylmethyl)-8-[(3,3,5-trimethylcyclohexyl)amino]purine-2,6-dione CAS Name: 3-methyl-7-[(2-methylphenyl)methyl]-8-[(3,3,5-trimethylcyclohexyl)amino]purine-2,6-dione IUPAC Name: 3-methyl-7-[(2-methylphenyl)methyl]-8-[(3,3,5-trimethylcyclohexyl)amino]purine-2,6-dione Traditional Name: 3-methyl-7-(2-methylbenzyl)-8-[(3,3,5-trimethylcyclohexyl)amino]xanthine Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)NC2=NC3=C(N2CC4=CC=CC=C4C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CC(CC(C1)(C)C)NC2=NC3=C(N2CC4=CC=CC=C4C)C(=O)NC(=O)N3C

InChI

InChI=1S/C23H31N5O2/c1-14-10-17(12-23(3,4)11-14)24-21-25-19-18(20(29)26-22(30)27(19)5)28(21)13-16-9-7-6-8-15(16)2/h6-9,14,17H,10-13H2,1-5H3,(H,24,25)(H,26,29,30)