N-(5-chloranyl-2-cyano-phenyl)-2-[7-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[7-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-isobutyl-2,6-dioxo-purin-1-yl)-N-(5-chloro-2-cyano-phenyl)acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[7-(2-methylpropyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]-N-(5-chloro-2-cyanophenyl)acetamide Traditional Name: 2-(3-benzyl-7-isobutyl-2,6-diketo-purin-1-yl)-N-(5-chloro-2-cyano-phenyl)acetamide Formula: C25H23ClN6O3 MolecularWeight: 490.94152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=C(C=CC(=C4)Cl)C#N

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=C(C=CC(=C4)Cl)C#N

InChI

InChI=1S/C25H23ClN6O3/c1-16(2)12-30-15-28-23-22(30)24(34)32(25(35)31(23)13-17-6-4-3-5-7-17)14-21(33)29-20-10-19(26)9-8-18(20)11-27/h3-10,15-16H,12-14H2,1-2H3,(H,29,33)