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

Systemtic Name: 4-[5-(4-methylphenyl)pyridin-3-yl]-2-phenyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-2-phenyl-6-[5-(p-tolyl)-3-pyridyl]pyrimidine CAS Name: 4-[5-(4-methylphenyl)-3-pyridinyl]-2-phenyl-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-[5-(4-methylphenyl)pyridin-3-yl]-2-phenylpyrimidine Traditional Name: 4-(4-benzylpiperazino)-2-phenyl-6-[5-(p-tolyl)-3-pyridyl]pyrimidine Formula: C33H31N5 MolecularWeight: 497.63274

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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)CC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=CN=C2)C3=CC(=NC(=N3)C4=CC=CC=C4)N5CCN(CC5)CC6=CC=CC=C6

InChI

InChI=1S/C33H31N5/c1-25-12-14-27(15-13-25)29-20-30(23-34-22-29)31-21-32(36-33(35-31)28-10-6-3-7-11-28)38-18-16-37(17-19-38)24-26-8-4-2-5-9-26/h2-15,20-23H,16-19,24H2,1H3