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

Systemtic Name: 2-[(4-chlorophenyl)amino]-4-oxidanylidene-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(4-chloroanilino)-4-oxo-6-(3-pyridyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-(4-chloroanilino)-4-oxo-6-(3-pyridinyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(4-chloroanilino)-4-oxo-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(4-chloroanilino)-4-keto-6-(3-pyridyl)-1H-pyrimidine-5-carbonitrile Formula: C16H10ClN5O MolecularWeight: 323.7365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClN5O/c17-11-3-5-12(6-4-11)20-16-21-14(10-2-1-7-19-9-10)13(8-18)15(23)22-16/h1-7,9H,(H2,20,21,22,23)