3-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 3-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile CAS Name: 3-[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]benzonitrile IUPAC Name: 3-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrile Traditional Name: 3-[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]benzonitrile Formula: C16H18N6 MolecularWeight: 294.35432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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