5-[2-[[(phenylmethyl)-(trifluoromethylsulfanyl)amino]methyl]cyclohexyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[2-[[(phenylmethyl)-(trifluoromethylsulfanyl)amino]methyl]cyclohexyl]pyrimidine-2,4-diamine Openeye Name: 5-[2-[[benzyl(trifluoromethylsulfanyl)amino]methyl]cyclohexyl]pyrimidine-2,4-diamine CAS Name: N-[[2-(2,4-diamino-5-pyrimidinyl)cyclohexyl]methyl]-1,1,1-trifluoro-N-(phenylmethyl)methanesulfenamide IUPAC Name: 5-[2-[[benzyl(trifluoromethylsulfanyl)amino]methyl]cyclohexyl]pyrimidine-2,4-diamine Traditional Name: benzyl-[[2-(2,4-diaminopyrimidin-5-yl)cyclohexyl]methyl]-(trifluoromethylthio)amine Formula: C19H24F3N5S MolecularWeight: 411.48757

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CN(CC2=CC=CC=C2)SC(F)(F)F)C3=CN=C(N=C3N)N

Isomeric SMILES

C1CCC(C(C1)CN(CC2=CC=CC=C2)SC(F)(F)F)C3=CN=C(N=C3N)N

InChI

InChI=1S/C19H24F3N5S/c20-19(21,22)28-27(11-13-6-2-1-3-7-13)12-14-8-4-5-9-15(14)16-10-25-18(24)26-17(16)23/h1-3,6-7,10,14-15H,4-5,8-9,11-12H2,(H4,23,24,25,26)