7-cyclopentyl-1-[(5-ethanoyl-2-methoxy-phenyl)methyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-cyclopentyl-1-[(5-ethanoyl-2-methoxy-phenyl)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 1-[(5-acetyl-2-methoxy-phenyl)methyl]-3-benzyl-7-cyclopentyl-purine-2,6-dione CAS Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]-7-cyclopentyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-benzyl-7-cyclopentylpurine-2,6-dione Traditional Name: 1-(5-acetyl-2-methoxy-benzyl)-3-benzyl-7-cyclopentyl-xanthine Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O4/c1-18(32)20-12-13-23(35-2)21(14-20)16-30-26(33)24-25(28-17-31(24)22-10-6-7-11-22)29(27(30)34)15-19-8-4-3-5-9-19/h3-5,8-9,12-14,17,22H,6-7,10-11,15-16H2,1-2H3