2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-cyanophenyl)ethanamide

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-cyanophenyl)ethanamide Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(3-cyanophenyl)acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(3-cyanophenyl)acetamide IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-cyanophenyl)acetamide Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(3-cyanophenyl)acetamide Formula: C16H13ClN6O3 MolecularWeight: 372.76582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H13ClN6O3/c1-21-13-12(14(25)22(2)16(21)26)23(15(17)20-13)8-11(24)19-10-5-3-4-9(6-10)7-18/h3-6H,8H2,1-2H3,(H,19,24)