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

Systemtic Name: 2-[4-(1-methyl-6-oxidanylidene-4-pyrimidin-4-yl-pyrimidin-2-yl)piperazin-2-yl]benzenecarbonitrile Openeye Name: 2-[4-(1-methyl-6-oxo-4-pyrimidin-4-yl-pyrimidin-2-yl)piperazin-2-yl]benzonitrile CAS Name: 2-[4-[1-methyl-6-oxo-4-(4-pyrimidinyl)-2-pyrimidinyl]-2-piperazinyl]benzonitrile IUPAC Name: 2-[4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazin-2-yl]benzonitrile Traditional Name: 2-[4-[6-keto-1-methyl-4-(4-pyrimidyl)pyrimidin-2-yl]piperazin-2-yl]benzonitrile Formula: C20H19N7O MolecularWeight: 373.41116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N7O/c1-26-19(28)10-17(16-6-7-22-13-24-16)25-20(26)27-9-8-23-18(12-27)15-5-3-2-4-14(15)11-21/h2-7,10,13,18,23H,8-9,12H2,1H3