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

Systemtic Name: 1-cyclopentyl-7-[(4-methylphenyl)methyl]-3-phenyl-purine-2,6-dione Openeye Name: 1-cyclopentyl-3-phenyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 1-cyclopentyl-7-[(4-methylphenyl)methyl]-3-phenylpurine-2,6-dione IUPAC Name: 1-cyclopentyl-7-[(4-methylphenyl)methyl]-3-phenylpurine-2,6-dione Traditional Name: 1-cyclopentyl-7-(4-methylbenzyl)-3-phenyl-xanthine Formula: C24H24N4O2 MolecularWeight: 400.47296

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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=C4)C5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)C5CCCC5

InChI

InChI=1S/C24H24N4O2/c1-17-11-13-18(14-12-17)15-26-16-25-22-21(26)23(29)28(20-9-5-6-10-20)24(30)27(22)19-7-3-2-4-8-19/h2-4,7-8,11-14,16,20H,5-6,9-10,15H2,1H3