4-(4-methylsulfanylphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]-6-pyridin-4-yl-pyrimidine

Systemtic Name: 4-(4-methylsulfanylphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]-6-pyridin-4-yl-pyrimidine Openeye Name: 2-(4-benzylpiperazin-1-yl)-4-(4-methylsulfanylphenyl)-6-(4-pyridyl)pyrimidine CAS Name: 4-[4-(methylthio)phenyl]-2-[4-(phenylmethyl)-1-piperazinyl]-6-pyridin-4-ylpyrimidine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4-(4-methylsulfanylphenyl)-6-pyridin-4-ylpyrimidine Traditional Name: 2-(4-benzylpiperazino)-4-[4-(methylthio)phenyl]-6-(4-pyridyl)pyrimidine Formula: C27H27N5S MolecularWeight: 453.60178

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C27H27N5S/c1-33-24-9-7-22(8-10-24)25-19-26(23-11-13-28-14-12-23)30-27(29-25)32-17-15-31(16-18-32)20-21-5-3-2-4-6-21/h2-14,19H,15-18,20H2,1H3