2-[5-(4-fluorophenyl)-3-[4-(oxidanylsulfanylmethyl)cyclohexyl]imidazol-4-yl]-N-methyl-pyrimidin-4-amine

Systemtic Name: 2-[5-(4-fluorophenyl)-3-[4-(oxidanylsulfanylmethyl)cyclohexyl]imidazol-4-yl]-N-methyl-pyrimidin-4-amine Openeye Name: 2-[5-(4-fluorophenyl)-3-[4-(hydroxysulfanylmethyl)cyclohexyl]imidazol-4-yl]-N-methyl-pyrimidin-4-amine CAS Name: [4-[4-(4-fluorophenyl)-5-[4-(methylamino)-2-pyrimidinyl]-1-imidazolyl]cyclohexyl]methanesulfenic acid IUPAC Name: 2-[5-(4-fluorophenyl)-3-[4-(hydroxysulfanylmethyl)cyclohexyl]imidazol-4-yl]-N-methylpyrimidin-4-amine Traditional Name: [2-[5-(4-fluorophenyl)-3-[4-(sulfenomethyl)cyclohexyl]imidazol-4-yl]pyrimidin-4-yl]-methyl-amine Formula: C21H24FN5OS MolecularWeight: 413.511563

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1)C2=C(N=CN2C3CCC(CC3)CSO)C4=CC=C(C=C4)F

Isomeric SMILES

CNC1=NC(=NC=C1)C2=C(N=CN2C3CCC(CC3)CSO)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H24FN5OS/c1-23-18-10-11-24-21(26-18)20-19(15-4-6-16(22)7-5-15)25-13-27(20)17-8-2-14(3-9-17)12-29-28/h4-7,10-11,13-14,17,28H,2-3,8-9,12H2,1H3,(H,23,24,26)