2-(4-methylpiperazin-1-yl)-4-(4-methylsulfanylphenyl)-6-pyridin-4-yl-pyrimidine

Systemtic Name: 2-(4-methylpiperazin-1-yl)-4-(4-methylsulfanylphenyl)-6-pyridin-4-yl-pyrimidine Openeye Name: 2-(4-methylpiperazin-1-yl)-4-(4-methylsulfanylphenyl)-6-(4-pyridyl)pyrimidine CAS Name: 2-(4-methyl-1-piperazinyl)-4-[4-(methylthio)phenyl]-6-pyridin-4-ylpyrimidine IUPAC Name: 2-(4-methylpiperazin-1-yl)-4-(4-methylsulfanylphenyl)-6-pyridin-4-ylpyrimidine Traditional Name: 2-(4-methylpiperazino)-4-[4-(methylthio)phenyl]-6-(4-pyridyl)pyrimidine Formula: C21H23N5S MolecularWeight: 377.50582

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=CC(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)SC

Isomeric SMILES

CN1CCN(CC1)C2=NC(=CC(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C21H23N5S/c1-25-11-13-26(14-12-25)21-23-19(16-3-5-18(27-2)6-4-16)15-20(24-21)17-7-9-22-10-8-17/h3-10,15H,11-14H2,1-2H3