N-(2-cyanoethyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-phenyl-acetamide Formula: C18H18N6O3 MolecularWeight: 366.37392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C18H18N6O3/c1-21-16-15(17(26)22(2)18(21)27)23(12-20-16)11-14(25)24(10-6-9-19)13-7-4-3-5-8-13/h3-5,7-8,12H,6,10-11H2,1-2H3