2-[7-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-[7-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-(3-benzyl-7-cyclopentyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: N-(4-acetylphenyl)-2-[7-cyclopentyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: N-(4-acetylphenyl)-2-(3-benzyl-7-cyclopentyl-2,6-dioxopurin-1-yl)acetamide Traditional Name: N-(4-acetylphenyl)-2-(3-benzyl-7-cyclopentyl-2,6-diketo-purin-1-yl)acetamide Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O4/c1-18(33)20-11-13-21(14-12-20)29-23(34)16-31-26(35)24-25(28-17-32(24)22-9-5-6-10-22)30(27(31)36)15-19-7-3-2-4-8-19/h2-4,7-8,11-14,17,22H,5-6,9-10,15-16H2,1H3,(H,29,34)