4-[[4-(3-oxidanylidene-2-phenyl-piperazin-1-yl)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-oxidanylidene-2-phenyl-piperazin-1-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(3-oxo-2-phenyl-piperazin-1-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(3-oxo-2-phenyl-1-piperazinyl)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(3-oxo-2-phenylpiperazin-1-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(3-keto-2-phenyl-piperazino)pyrimidin-2-yl]amino]benzonitrile Formula: C21H18N6O MolecularWeight: 370.40722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(C(C(=O)N1)C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H18N6O/c22-14-15-6-8-17(9-7-15)25-21-24-11-10-18(26-21)27-13-12-23-20(28)19(27)16-4-2-1-3-5-16/h1-11,19H,12-13H2,(H,23,28)(H,24,25,26)