3-[[dimethylsulfamoyl-[(3-fluorophenyl)-pyrimidin-5-yl-methyl]amino]methyl]-2-methylsulfanyl-phenol

Systemtic Name: 3-[[dimethylsulfamoyl-[(3-fluorophenyl)-pyrimidin-5-yl-methyl]amino]methyl]-2-methylsulfanyl-phenol Openeye Name: 3-[[dimethylsulfamoyl-[(3-fluorophenyl)-pyrimidin-5-yl-methyl]amino]methyl]-2-methylsulfanyl-phenol CAS Name: 3-[[dimethylsulfamoyl-[(3-fluorophenyl)-(5-pyrimidinyl)methyl]amino]methyl]-2-(methylthio)phenol IUPAC Name: 3-[[dimethylsulfamoyl-[(3-fluorophenyl)-pyrimidin-5-ylmethyl]amino]methyl]-2-methylsulfanylphenol Traditional Name: 3-[[dimethylsulfamoyl-[(3-fluorophenyl)-(5-pyrimidyl)methyl]amino]methyl]-2-(methylthio)phenol Formula: C21H23FN4O3S2 MolecularWeight: 462.560723

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N(CC1=C(C(=CC=C1)O)SC)C(C2=CC(=CC=C2)F)C3=CN=CN=C3

Isomeric SMILES

CN(C)S(=O)(=O)N(CC1=C(C(=CC=C1)O)SC)C(C2=CC(=CC=C2)F)C3=CN=CN=C3

InChI

InChI=1S/C21H23FN4O3S2/c1-25(2)31(28,29)26(13-16-7-5-9-19(27)21(16)30-3)20(17-11-23-14-24-12-17)15-6-4-8-18(22)10-15/h4-12,14,20,27H,13H2,1-3H3