2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile CAS Name: 2-[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]benzonitrile IUPAC Name: 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile Traditional Name: 2-[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]benzonitrile Formula: C16H18N6 MolecularWeight: 294.35432

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3C#N)N

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3C#N)N

InChI

InChI=1S/C16H18N6/c1-21-6-8-22(9-7-21)15-10-14(19-16(18)20-15)13-5-3-2-4-12(13)11-17/h2-5,10H,6-9H2,1H3,(H2,18,19,20)