6-(4-fluorophenyl)-4-oxidanylidene-2-[(phenylmethyl)amino]-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-fluorophenyl)-4-oxidanylidene-2-[(phenylmethyl)amino]-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(benzylamino)-6-(4-fluorophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-fluorophenyl)-4-oxo-2-[(phenylmethyl)amino]-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(benzylamino)-6-(4-fluorophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(benzylamino)-6-(4-fluorophenyl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C18H13FN4O MolecularWeight: 320.320423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C18H13FN4O/c19-14-8-6-13(7-9-14)16-15(10-20)17(24)23-18(22-16)21-11-12-4-2-1-3-5-12/h1-9H,11H2,(H2,21,22,23,24)