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

Systemtic Name: 8-cyclopentyl-3-[(4-methoxyphenyl)methyl]-7-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 7-benzyl-8-cyclopentyl-3-[(4-methoxyphenyl)methyl]-1-propyl-purine-2,6-dione CAS Name: 8-cyclopentyl-3-[(4-methoxyphenyl)methyl]-7-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-3-[(4-methoxyphenyl)methyl]-1-propylpurine-2,6-dione Traditional Name: 7-benzyl-8-cyclopentyl-3-p-anisyl-1-propyl-xanthine Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CC5=CC=C(C=C5)OC

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C28H32N4O3/c1-3-17-30-27(33)24-26(32(28(30)34)19-21-13-15-23(35-2)16-14-21)29-25(22-11-7-8-12-22)31(24)18-20-9-5-4-6-10-20/h4-6,9-10,13-16,22H,3,7-8,11-12,17-19H2,1-2H3