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

Systemtic Name: 6-[(4-chlorophenyl)amino]-4-oxidanylidene-2-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-chloroanilino)-4-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-chloroanilino)-4-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-chloroanilino)-4-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(4-chloroanilino)-4-keto-2-phenyl-1H-pyrimidine-5-carbonitrile Formula: C17H11ClN4O MolecularWeight: 322.74844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN4O/c18-12-6-8-13(9-7-12)20-16-14(10-19)17(23)22-15(21-16)11-4-2-1-3-5-11/h1-9H,(H2,20,21,22,23)