4-[2-azanyl-6-(4-methylpiperazin-1-yl)-5-phenyl-pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-azanyl-6-(4-methylpiperazin-1-yl)-5-phenyl-pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 4-[2-amino-6-(4-methylpiperazin-1-yl)-5-phenyl-pyrimidin-4-yl]benzonitrile CAS Name: 4-[2-amino-6-(4-methyl-1-piperazinyl)-5-phenyl-4-pyrimidinyl]benzonitrile IUPAC Name: 4-[2-amino-6-(4-methylpiperazin-1-yl)-5-phenylpyrimidin-4-yl]benzonitrile Traditional Name: 4-[2-amino-6-(4-methylpiperazino)-5-phenyl-pyrimidin-4-yl]benzonitrile Formula: C22H22N6 MolecularWeight: 370.45028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC(=C2C3=CC=CC=C3)C4=CC=C(C=C4)C#N)N

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2C3=CC=CC=C3)C4=CC=C(C=C4)C#N)N

InChI

InChI=1S/C22H22N6/c1-27-11-13-28(14-12-27)21-19(17-5-3-2-4-6-17)20(25-22(24)26-21)18-9-7-16(15-23)8-10-18/h2-10H,11-14H2,1H3,(H2,24,25,26)