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

Systemtic Name: 2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-(3,7-dibutyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: N-(4-acetylphenyl)-2-(3,7-dibutyl-2,6-dioxo-1-purinyl)acetamide IUPAC Name: N-(4-acetylphenyl)-2-(3,7-dibutyl-2,6-dioxopurin-1-yl)acetamide Traditional Name: N-(4-acetylphenyl)-2-(3,7-dibutyl-2,6-diketo-purin-1-yl)acetamide Formula: C23H29N5O4 MolecularWeight: 439.50746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C23H29N5O4/c1-4-6-12-26-15-24-21-20(26)22(31)28(23(32)27(21)13-7-5-2)14-19(30)25-18-10-8-17(9-11-18)16(3)29/h8-11,15H,4-7,12-14H2,1-3H3,(H,25,30)