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

Systemtic Name: 8-cyclopentyl-3-[(4-methoxyphenyl)methyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-cyclopentyl-3-[(4-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 8-cyclopentyl-3-[(4-methoxyphenyl)methyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-3-[(4-methoxyphenyl)methyl]purine-2,6-dione Traditional Name: 7-benzyl-8-cyclopentyl-3-p-anisyl-xanthine Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)N(C(=N3)C4CCCC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)N(C(=N3)C4CCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N4O3/c1-32-20-13-11-18(12-14-20)16-29-23-21(24(30)27-25(29)31)28(15-17-7-3-2-4-8-17)22(26-23)19-9-5-6-10-19/h2-4,7-8,11-14,19H,5-6,9-10,15-16H2,1H3,(H,27,30,31)