1-(3-methylphenyl)-2-[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine

Systemtic Name: 1-(3-methylphenyl)-2-[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine Openeye Name: 1-(m-tolyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine CAS Name: 1-(3-methylphenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine IUPAC Name: 1-(3-methylphenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine Traditional Name: 2-[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]-1-(m-tolyl)guanidine Formula: C13H12F3N5O MolecularWeight: 311.26249

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=NC2=NC(=O)C=C(N2)C(F)(F)F)N

Isomeric SMILES

CC1=CC(=CC=C1)N/C(=N/C2=NC(=O)C=C(N2)C(F)(F)F)/N

InChI

InChI=1S/C13H12F3N5O/c1-7-3-2-4-8(5-7)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)