4-[4-(1-methyl-6-oxidanylidene-4-pyridin-4-yl-pyrimidin-2-yl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(1-methyl-6-oxidanylidene-4-pyridin-4-yl-pyrimidin-2-yl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[1-methyl-6-oxo-4-(4-pyridyl)pyrimidin-2-yl]piperazin-1-yl]benzonitrile CAS Name: 4-[4-(1-methyl-6-oxo-4-pyridin-4-yl-2-pyrimidinyl)-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazin-1-yl]benzonitrile Traditional Name: 4-[4-[6-keto-1-methyl-4-(4-pyridyl)pyrimidin-2-yl]piperazino]benzonitrile Formula: C21H20N6O MolecularWeight: 372.4231

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1N2CCN(CC2)C3=CC=C(C=C3)C#N)C4=CC=NC=C4

Isomeric SMILES

CN1C(=O)C=C(N=C1N2CCN(CC2)C3=CC=C(C=C3)C#N)C4=CC=NC=C4

InChI

InChI=1S/C21H20N6O/c1-25-20(28)14-19(17-6-8-23-9-7-17)24-21(25)27-12-10-26(11-13-27)18-4-2-16(15-22)3-5-18/h2-9,14H,10-13H2,1H3