2-[3-butyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-1-yl]-N-(3-chlorophenyl)ethanamide

Systemtic Name: 2-[3-butyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-1-yl]-N-(3-chlorophenyl)ethanamide Openeye Name: 2-(3-butyl-7-isopentyl-2,6-dioxo-purin-1-yl)-N-(3-chlorophenyl)acetamide CAS Name: 2-[3-butyl-7-(3-methylbutyl)-2,6-dioxo-1-purinyl]-N-(3-chlorophenyl)acetamide IUPAC Name: 2-[3-butyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]-N-(3-chlorophenyl)acetamide Traditional Name: 2-(3-butyl-7-isoamyl-2,6-diketo-purin-1-yl)-N-(3-chlorophenyl)acetamide Formula: C22H28ClN5O3 MolecularWeight: 445.94242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CC(=CC=C3)Cl)N(C=N2)CCC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CC(=CC=C3)Cl)N(C=N2)CCC(C)C

InChI

InChI=1S/C22H28ClN5O3/c1-4-5-10-27-20-19(26(14-24-20)11-9-15(2)3)21(30)28(22(27)31)13-18(29)25-17-8-6-7-16(23)12-17/h6-8,12,14-15H,4-5,9-11,13H2,1-3H3,(H,25,29)