1-ethynyl-4-[4-(4-fluorophenyl)-5-[4-(methylamino)pyrimidin-2-yl]imidazol-1-yl]cyclohexan-1-ol

Systemtic Name: 1-ethynyl-4-[4-(4-fluorophenyl)-5-[4-(methylamino)pyrimidin-2-yl]imidazol-1-yl]cyclohexan-1-ol Openeye Name: 1-ethynyl-4-[4-(4-fluorophenyl)-5-[4-(methylamino)pyrimidin-2-yl]imidazol-1-yl]cyclohexanol CAS Name: 1-ethynyl-4-[4-(4-fluorophenyl)-5-[4-(methylamino)-2-pyrimidinyl]-1-imidazolyl]-1-cyclohexanol IUPAC Name: 1-ethynyl-4-[4-(4-fluorophenyl)-5-[4-(methylamino)pyrimidin-2-yl]imidazol-1-yl]cyclohexan-1-ol Traditional Name: 1-ethynyl-4-[4-(4-fluorophenyl)-5-[4-(methylamino)pyrimidin-2-yl]imidazol-1-yl]cyclohexanol Formula: C22H22FN5O MolecularWeight: 391.441383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN5O/c1-3-22(29)11-8-17(9-12-22)28-14-26-19(15-4-6-16(23)7-5-15)20(28)21-25-13-10-18(24-2)27-21/h1,4-7,10,13-14,17,29H,8-9,11-12H2,2H3,(H,24,25,27)