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

Systemtic Name: N-(4-tert-butylphenyl)-2-[7-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-cyclopentyl-2,6-dioxo-purin-1-yl)-N-(4-tert-butylphenyl)acetamide CAS Name: N-(4-tert-butylphenyl)-2-[7-cyclopentyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-(3-benzyl-7-cyclopentyl-2,6-dioxopurin-1-yl)-N-(4-tert-butylphenyl)acetamide Traditional Name: 2-(3-benzyl-7-cyclopentyl-2,6-diketo-purin-1-yl)-N-(4-tert-butylphenyl)acetamide Formula: C29H33N5O3 MolecularWeight: 499.60402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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