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

Systemtic Name: 8-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]purine-2,6-dione CAS Name: 8-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]purine-2,6-dione Traditional Name: 7-benzyl-8-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]xanthine Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2C3=C(C(=O)NC2=O)N(C(=N3)C4CCCC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CCN2C3=C(C(=O)NC2=O)N(C(=N3)C4CCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N4O3/c1-33-21-13-11-18(12-14-21)15-16-29-24-22(25(31)28-26(29)32)30(17-19-7-3-2-4-8-19)23(27-24)20-9-5-6-10-20/h2-4,7-8,11-14,20H,5-6,9-10,15-17H2,1H3,(H,28,31,32)