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

Systemtic Name: 4-(4-chlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-chlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(4-chlorophenyl)-6-[4-(4-fluorophenyl)-1-piperazinyl]-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(4-chlorophenyl)-6-[4-(4-fluorophenyl)piperazino]-2-(methylthio)pyrimidine-5-carbonitrile Formula: C22H19ClFN5S MolecularWeight: 439.936163

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)N2CCN(CC2)C3=CC=C(C=C3)F)C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CSC1=NC(=C(C(=N1)N2CCN(CC2)C3=CC=C(C=C3)F)C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClFN5S/c1-30-22-26-20(15-2-4-16(23)5-3-15)19(14-25)21(27-22)29-12-10-28(11-13-29)18-8-6-17(24)7-9-18/h2-9H,10-13H2,1H3