4-[5-(4-fluorophenyl)-3-methylsulfonyl-1,2,3-triazol-4-yl]-N-phenethyl-pyrimidin-2-amine

Systemtic Name: 4-[5-(4-fluorophenyl)-3-methylsulfonyl-1,2,3-triazol-4-yl]-N-phenethyl-pyrimidin-2-amine Openeye Name: 4-[5-(4-fluorophenyl)-3-methylsulfonyl-triazol-4-yl]-N-phenethyl-pyrimidin-2-amine CAS Name: 4-[5-(4-fluorophenyl)-3-methylsulfonyl-4-triazolyl]-N-phenethyl-2-pyrimidinamine IUPAC Name: 4-[5-(4-fluorophenyl)-3-methylsulfonyltriazol-4-yl]-N-phenethylpyrimidin-2-amine Traditional Name: [4-[5-(4-fluorophenyl)-3-mesyl-triazol-4-yl]pyrimidin-2-yl]-phenethyl-amine Formula: C21H19FN6O2S MolecularWeight: 438.477963

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C(=C(N=N1)C2=CC=C(C=C2)F)C3=NC(=NC=C3)NCCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1C(=C(N=N1)C2=CC=C(C=C2)F)C3=NC(=NC=C3)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H19FN6O2S/c1-31(29,30)28-20(19(26-27-28)16-7-9-17(22)10-8-16)18-12-14-24-21(25-18)23-13-11-15-5-3-2-4-6-15/h2-10,12,14H,11,13H2,1H3,(H,23,24,25)