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

Systemtic Name: 2-[3-butyl-7-cyclopentyl-2,6-bis(oxidanylidene)purin-1-yl]-N-[2-(phenylmethyl)phenyl]ethanamide Openeye Name: N-(2-benzylphenyl)-2-(3-butyl-7-cyclopentyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: 2-(3-butyl-7-cyclopentyl-2,6-dioxo-1-purinyl)-N-[2-(phenylmethyl)phenyl]acetamide IUPAC Name: N-(2-benzylphenyl)-2-(3-butyl-7-cyclopentyl-2,6-dioxopurin-1-yl)acetamide Traditional Name: N-(2-benzylphenyl)-2-(3-butyl-7-cyclopentyl-2,6-diketo-purin-1-yl)acetamide Formula: C29H33N5O3 MolecularWeight: 499.60402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CC=CC=C3CC4=CC=CC=C4)N(C=N2)C5CCCC5

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CC=CC=C3CC4=CC=CC=C4)N(C=N2)C5CCCC5

InChI

InChI=1S/C29H33N5O3/c1-2-3-17-32-27-26(34(20-30-27)23-14-8-9-15-23)28(36)33(29(32)37)19-25(35)31-24-16-10-7-13-22(24)18-21-11-5-4-6-12-21/h4-7,10-13,16,20,23H,2-3,8-9,14-15,17-19H2,1H3,(H,31,35)