4-(cyclohexylamino)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-(cyclohexylamino)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-(cyclohexylamino)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-(cyclohexylamino)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-(cyclohexylamino)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-(cyclohexylamino)-6-phenyl-2-[[3-(trifluoromethyl)benzyl]thio]pyrimidine-5-carbonitrile Formula: C25H23F3N4S MolecularWeight: 468.53713

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC(=C2C#N)C3=CC=CC=C3)SCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC(=C2C#N)C3=CC=CC=C3)SCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C25H23F3N4S/c26-25(27,28)19-11-7-8-17(14-19)16-33-24-31-22(18-9-3-1-4-10-18)21(15-29)23(32-24)30-20-12-5-2-6-13-20/h1,3-4,7-11,14,20H,2,5-6,12-13,16H2,(H,30,31,32)