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

Systemtic Name: 8-cyclopentyl-3-[3-(4-methoxyphenyl)propyl]-1-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 1-benzyl-8-cyclopentyl-3-[3-(4-methoxyphenyl)propyl]-7H-purine-2,6-dione CAS Name: 8-cyclopentyl-3-[3-(4-methoxyphenyl)propyl]-1-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 1-benzyl-8-cyclopentyl-3-[3-(4-methoxyphenyl)propyl]-7H-purine-2,6-dione Traditional Name: 1-benzyl-8-cyclopentyl-3-[3-(4-methoxyphenyl)propyl]-7H-purine-2,6-quinone Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCN2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC(=N3)C5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)CCCN2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC(=N3)C5CCCC5

InChI

InChI=1S/C27H30N4O3/c1-34-22-15-13-19(14-16-22)10-7-17-30-25-23(28-24(29-25)21-11-5-6-12-21)26(32)31(27(30)33)18-20-8-3-2-4-9-20/h2-4,8-9,13-16,21H,5-7,10-12,17-18H2,1H3,(H,28,29)