4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-6-(4-methylphenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-2-(methylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C23H22FN5S MolecularWeight: 419.517683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)N3CCN(CC3)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)N3CCN(CC3)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C23H22FN5S/c1-16-3-5-17(6-4-16)21-20(15-25)22(27-23(26-21)30-2)29-13-11-28(12-14-29)19-9-7-18(24)8-10-19/h3-10H,11-14H2,1-2H3