1-(4-chlorophenyl)-6-oxidanylidene-4-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile

Systemtic Name: 1-(4-chlorophenyl)-6-oxidanylidene-4-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile Openeye Name: 1-(4-chlorophenyl)-6-oxo-4-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile CAS Name: 1-(4-chlorophenyl)-6-oxo-4-(4-phenyl-1-piperazinyl)-5-pyrimidinecarbonitrile IUPAC Name: 1-(4-chlorophenyl)-6-oxo-4-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile Traditional Name: 1-(4-chlorophenyl)-6-keto-4-(4-phenylpiperazino)pyrimidine-5-carbonitrile Formula: C21H18ClN5O MolecularWeight: 391.85352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N(C=N3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N(C=N3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C21H18ClN5O/c22-16-6-8-18(9-7-16)27-15-24-20(19(14-23)21(27)28)26-12-10-25(11-13-26)17-4-2-1-3-5-17/h1-9,15H,10-13H2