4-[5-(4-methylphenyl)pyridin-3-yl]-2-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-[5-(4-methylphenyl)pyridin-3-yl]-2-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 2-phenyl-4-[5-(p-tolyl)-3-pyridyl]-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine CAS Name: 4-[5-(4-methylphenyl)-3-pyridinyl]-2-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-[5-(4-methylphenyl)pyridin-3-yl]-2-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 2-phenyl-4-[5-(p-tolyl)-3-pyridyl]-6-[4-(2-pyridyl)piperazino]pyrimidine Formula: C31H28N6 MolecularWeight: 484.59422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=CN=C2)C3=CC(=NC(=N3)C4=CC=CC=C4)N5CCN(CC5)C6=CC=CC=N6

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=CN=C2)C3=CC(=NC(=N3)C4=CC=CC=C4)N5CCN(CC5)C6=CC=CC=N6

InChI

InChI=1S/C31H28N6/c1-23-10-12-24(13-11-23)26-19-27(22-32-21-26)28-20-30(35-31(34-28)25-7-3-2-4-8-25)37-17-15-36(16-18-37)29-9-5-6-14-33-29/h2-14,19-22H,15-18H2,1H3