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

Systemtic Name: 2-[(4-chlorophenyl)amino]-4-oxidanylidene-6-[3-(pyridin-2-ylmethylamino)phenyl]-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(4-chloroanilino)-4-oxo-6-[3-(2-pyridylmethylamino)phenyl]-1H-pyrimidine-5-carbonitrile CAS Name: 2-(4-chloroanilino)-4-oxo-6-[3-(2-pyridinylmethylamino)phenyl]-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(4-chloroanilino)-4-oxo-6-[3-(pyridin-2-ylmethylamino)phenyl]-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(4-chloroanilino)-4-keto-6-[3-(2-pyridylmethylamino)phenyl]-1H-pyrimidine-5-carbonitrile Formula: C23H17ClN6O MolecularWeight: 428.87368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC2=CC=CC(=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1=CC=NC(=C1)CNC2=CC=CC(=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C23H17ClN6O/c24-16-7-9-17(10-8-16)28-23-29-21(20(13-25)22(31)30-23)15-4-3-6-18(12-15)27-14-19-5-1-2-11-26-19/h1-12,27H,14H2,(H2,28,29,30,31)