4-[1-ethyl-6-methyl-5,7-bis(oxidanylidene)pyrimido[4,5-c]pyridazin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[1-ethyl-6-methyl-5,7-bis(oxidanylidene)pyrimido[4,5-c]pyridazin-3-yl]benzenecarbonitrile Openeye Name: 4-(1-ethyl-6-methyl-5,7-dioxo-pyrimido[4,5-c]pyridazin-3-yl)benzonitrile CAS Name: 4-(1-ethyl-6-methyl-5,7-dioxo-3-pyrimido[4,5-c]pyridazinyl)benzonitrile IUPAC Name: 4-(1-ethyl-6-methyl-5,7-dioxopyrimido[4,5-c]pyridazin-3-yl)benzonitrile Traditional Name: 4-(1-ethyl-5,7-diketo-6-methyl-pyrimido[4,5-c]pyridazin-3-yl)benzonitrile Formula: C16H13N5O2 MolecularWeight: 307.30672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC(=O)N(C(=O)C2=CC(=N1)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCN1C2=NC(=O)N(C(=O)C2=CC(=N1)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C16H13N5O2/c1-3-21-14-12(15(22)20(2)16(23)18-14)8-13(19-21)11-6-4-10(9-17)5-7-11/h4-8H,3H2,1-2H3