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

Systemtic Name: 3-methoxy-4-[4-(1-methyl-6-oxidanylidene-4-pyridin-4-yl-pyrimidin-2-yl)piperazin-2-yl]benzenecarbonitrile Openeye Name: 3-methoxy-4-[4-[1-methyl-6-oxo-4-(4-pyridyl)pyrimidin-2-yl]piperazin-2-yl]benzonitrile CAS Name: 3-methoxy-4-[4-(1-methyl-6-oxo-4-pyridin-4-yl-2-pyrimidinyl)-2-piperazinyl]benzonitrile IUPAC Name: 3-methoxy-4-[4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazin-2-yl]benzonitrile Traditional Name: 4-[4-[6-keto-1-methyl-4-(4-pyridyl)pyrimidin-2-yl]piperazin-2-yl]-3-methoxy-benzonitrile Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O2/c1-27-21(29)12-18(16-5-7-24-8-6-16)26-22(27)28-10-9-25-19(14-28)17-4-3-15(13-23)11-20(17)30-2/h3-8,11-12,19,25H,9-10,14H2,1-2H3