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

Systemtic Name: 1-cyclopentyl-3-(2-methoxyphenyl)-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 1-cyclopentyl-3-(2-methoxyphenyl)-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 1-cyclopentyl-3-(2-methoxyphenyl)-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 1-cyclopentyl-3-(2-methoxyphenyl)-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 1-cyclopentyl-3-(2-methoxyphenyl)-7-(4-methylbenzyl)xanthine Formula: C25H26N4O3 MolecularWeight: 430.49894

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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=C4OC)C5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4OC)C5CCCC5

InChI

InChI=1S/C25H26N4O3/c1-17-11-13-18(14-12-17)15-27-16-26-23-22(27)24(30)28(19-7-3-4-8-19)25(31)29(23)20-9-5-6-10-21(20)32-2/h5-6,9-14,16,19H,3-4,7-8,15H2,1-2H3