N-(4-cyanophenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanamide

Systemtic Name: N-(4-cyanophenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanamide Openeye Name: N-(4-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxo-purin-9-yl)acetamide CAS Name: N-(4-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxo-9-purinyl)acetamide IUPAC Name: N-(4-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide Traditional Name: N-(4-cyanophenyl)-2-(2,6-diketo-1,3-dimethyl-purin-9-yl)acetamide Formula: C16H14N6O3 MolecularWeight: 338.32076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H14N6O3/c1-20-14-13(15(24)21(2)16(20)25)18-9-22(14)8-12(23)19-11-5-3-10(7-17)4-6-11/h3-6,9H,8H2,1-2H3,(H,19,23)