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

Systemtic Name: 3-methyl-7-(3-phenylpropyl)-8-[(3,3,5-trimethylcyclohexyl)amino]purine-2,6-dione Openeye Name: 3-methyl-7-(3-phenylpropyl)-8-[(3,3,5-trimethylcyclohexyl)amino]purine-2,6-dione CAS Name: 3-methyl-7-(3-phenylpropyl)-8-[(3,3,5-trimethylcyclohexyl)amino]purine-2,6-dione IUPAC Name: 3-methyl-7-(3-phenylpropyl)-8-[(3,3,5-trimethylcyclohexyl)amino]purine-2,6-dione Traditional Name: 3-methyl-7-(3-phenylpropyl)-8-[(3,3,5-trimethylcyclohexyl)amino]xanthine Formula: C24H33N5O2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)NC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CC(CC(C1)(C)C)NC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C24H33N5O2/c1-16-13-18(15-24(2,3)14-16)25-22-26-20-19(21(30)27-23(31)28(20)4)29(22)12-8-11-17-9-6-5-7-10-17/h5-7,9-10,16,18H,8,11-15H2,1-4H3,(H,25,26)(H,27,30,31)