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

Systemtic Name: 7-cyclopentyl-1-[(3-methoxyphenyl)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-[(3-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 7-cyclopentyl-1-[(3-methoxyphenyl)methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-[(3-methoxyphenyl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-m-anisyl-xanthine Formula: C25H26N4O3 MolecularWeight: 430.49894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5

InChI

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