1-(2-methylphenyl)-2-[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine

Systemtic Name: 1-(2-methylphenyl)-2-[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine Openeye Name: 1-(o-tolyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine CAS Name: 1-(2-methylphenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine IUPAC Name: 1-(2-methylphenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine Traditional Name: 2-[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]-1-(o-tolyl)guanidine Formula: C13H12F3N5O MolecularWeight: 311.26249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=NC2=NC(=O)C=C(N2)C(F)(F)F)N

Isomeric SMILES

CC1=CC=CC=C1N/C(=N/C2=NC(=O)C=C(N2)C(F)(F)F)/N

InChI

InChI=1S/C13H12F3N5O/c1-7-4-2-3-5-8(7)18-11(17)21-12-19-9(13(14,15)16)6-10(22)20-12/h2-6H,1H3,(H4,17,18,19,20,21,22)