2-[(4-chlorophenyl)amino]-4-oxidanylidene-6-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)amino]-4-oxidanylidene-6-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(4-chloroanilino)-4-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carbonitrile CAS Name: 2-(4-chloroanilino)-4-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(4-chloroanilino)-4-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(4-chloroanilino)-4-keto-6-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carbonitrile Formula: C18H10ClF3N4O MolecularWeight: 390.74641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C18H10ClF3N4O/c19-12-4-6-13(7-5-12)24-17-25-15(14(9-23)16(27)26-17)10-2-1-3-11(8-10)18(20,21)22/h1-8H,(H2,24,25,26,27)