3-[4-(1-methyl-6-oxidanylidene-4-pyridin-4-yl-pyrimidin-2-yl)piperazin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-(1-methyl-6-oxidanylidene-4-pyridin-4-yl-pyrimidin-2-yl)piperazin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-[1-methyl-6-oxo-4-(4-pyridyl)pyrimidin-2-yl]piperazin-2-yl]benzonitrile CAS Name: 3-[4-(1-methyl-6-oxo-4-pyridin-4-yl-2-pyrimidinyl)-2-piperazinyl]benzonitrile IUPAC Name: 3-[4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazin-2-yl]benzonitrile Traditional Name: 3-[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(=C3)C#N)C4=CC=NC=C4

Isomeric SMILES

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

InChI

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