3-azanyl-2-[6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyloxy)benzenecarbonitrile

Systemtic Name: 3-azanyl-2-[6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyloxy)benzenecarbonitrile Openeye Name: 3-amino-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethoxy)benzonitrile CAS Name: 3-amino-2-[6-oxo-4-(trifluoromethyl)-1-pyrimidinyl]-5-(trifluoromethoxy)benzonitrile IUPAC Name: 3-amino-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethoxy)benzonitrile Traditional Name: 3-amino-2-[6-keto-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethoxy)benzonitrile Formula: C13H6F6N4O2 MolecularWeight: 364.202759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1N)N2C=NC(=CC2=O)C(F)(F)F)C#N)OC(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1N)N2C=NC(=CC2=O)C(F)(F)F)C#N)OC(F)(F)F

InChI

InChI=1S/C13H6F6N4O2/c14-12(15,16)9-3-10(24)23(5-22-9)11-6(4-20)1-7(2-8(11)21)25-13(17,18)19/h1-3,5H,21H2