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

Systemtic Name: 4-[5-(4-methylphenyl)pyridin-3-yl]-6-(4-methylpiperazin-1-yl)-2-phenyl-pyrimidine Openeye Name: 4-(4-methylpiperazin-1-yl)-2-phenyl-6-[5-(p-tolyl)-3-pyridyl]pyrimidine CAS Name: 4-[5-(4-methylphenyl)-3-pyridinyl]-6-(4-methyl-1-piperazinyl)-2-phenylpyrimidine IUPAC Name: 4-[5-(4-methylphenyl)pyridin-3-yl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine Traditional Name: 4-(4-methylpiperazino)-2-phenyl-6-[5-(p-tolyl)-3-pyridyl]pyrimidine Formula: C27H27N5 MolecularWeight: 421.53678

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5/c1-20-8-10-21(11-9-20)23-16-24(19-28-18-23)25-17-26(32-14-12-31(2)13-15-32)30-27(29-25)22-6-4-3-5-7-22/h3-11,16-19H,12-15H2,1-2H3