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

Systemtic Name: 2-[7-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(3-ethylphenyl)ethanamide Openeye Name: 2-(3-benzyl-7-cyclopentyl-2,6-dioxo-purin-1-yl)-N-(3-ethylphenyl)acetamide CAS Name: 2-[7-cyclopentyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-(3-ethylphenyl)acetamide IUPAC Name: 2-(3-benzyl-7-cyclopentyl-2,6-dioxopurin-1-yl)-N-(3-ethylphenyl)acetamide Traditional Name: 2-(3-benzyl-7-cyclopentyl-2,6-diketo-purin-1-yl)-N-(3-ethylphenyl)acetamide Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H29N5O3/c1-2-19-11-8-12-21(15-19)29-23(33)17-31-26(34)24-25(28-18-32(24)22-13-6-7-14-22)30(27(31)35)16-20-9-4-3-5-10-20/h3-5,8-12,15,18,22H,2,6-7,13-14,16-17H2,1H3,(H,29,33)