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

Systemtic Name: 4-[[[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]methyl]benzonitrile CAS Name: 4-[[[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]amino]methyl]benzonitrile IUPAC Name: 4-[[[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]methyl]benzonitrile Traditional Name: 4-[[[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]amino]methyl]benzonitrile Formula: C17H21N7 MolecularWeight: 323.39554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=NC(=N2)N)NCC3=CC=C(C=C3)C#N

Isomeric SMILES

CN1CCN(CC1)C2=CC(=NC(=N2)N)NCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H21N7/c1-23-6-8-24(9-7-23)16-10-15(21-17(19)22-16)20-12-14-4-2-13(11-18)3-5-14/h2-5,10H,6-9,12H2,1H3,(H3,19,20,21,22)