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

Systemtic Name: 8-cyclopentyl-3-[3-(4-methoxyphenyl)propyl]-7-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 7-benzyl-8-cyclopentyl-3-[3-(4-methoxyphenyl)propyl]-1-propyl-purine-2,6-dione CAS Name: 8-cyclopentyl-3-[3-(4-methoxyphenyl)propyl]-7-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 7-benzyl-8-cyclopentyl-3-[3-(4-methoxyphenyl)propyl]-1-propylpurine-2,6-dione Traditional Name: 7-benzyl-8-cyclopentyl-3-[3-(4-methoxyphenyl)propyl]-1-propyl-xanthine Formula: C30H36N4O3 MolecularWeight: 500.63184

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCCC5=CC=C(C=C5)OC

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4CCCC4)N(C1=O)CCCC5=CC=C(C=C5)OC

InChI

InChI=1S/C30H36N4O3/c1-3-19-33-29(35)26-28(32(30(33)36)20-9-12-22-15-17-25(37-2)18-16-22)31-27(24-13-7-8-14-24)34(26)21-23-10-5-4-6-11-23/h4-6,10-11,15-18,24H,3,7-9,12-14,19-21H2,1-2H3