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

Systemtic Name: 1-(4-chlorophenyl)-2-[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine Openeye Name: 1-(4-chlorophenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine CAS Name: 1-(4-chlorophenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine IUPAC Name: 1-(4-chlorophenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine Traditional Name: 1-(4-chlorophenyl)-2-[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine Formula: C12H9ClF3N5O MolecularWeight: 331.68097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=NC2=NC(=O)C=C(N2)C(F)(F)F)N)Cl

Isomeric SMILES

C1=CC(=CC=C1N/C(=N/C2=NC(=O)C=C(N2)C(F)(F)F)/N)Cl

InChI

InChI=1S/C12H9ClF3N5O/c13-6-1-3-7(4-2-6)18-10(17)21-11-19-8(12(14,15)16)5-9(22)20-11/h1-5H,(H4,17,18,19,20,21,22)