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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1N2CCNC(C2)C3=CC=CC=C3C#N)C4=CC=NC=C4

Isomeric SMILES

CN1C(=O)C=C(N=C1N2CCNC(C2)C3=CC=CC=C3C#N)C4=CC=NC=C4

InChI

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