4-(4-methylpiperazin-1-yl)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylpiperazin-1-yl)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-(4-methylpiperazin-1-yl)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-(4-methyl-1-piperazinyl)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylpiperazin-1-yl)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-(4-methylpiperazino)-6-phenyl-2-[[3-(trifluoromethyl)benzyl]thio]pyrimidine-5-carbonitrile Formula: C24H22F3N5S MolecularWeight: 469.52519

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=CC=C3)SCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=CC=C3)SCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C24H22F3N5S/c1-31-10-12-32(13-11-31)22-20(15-28)21(18-7-3-2-4-8-18)29-23(30-22)33-16-17-6-5-9-19(14-17)24(25,26)27/h2-9,14H,10-13,16H2,1H3