2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]butanamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]butyramide Formula: C20H22N6O3S2 MolecularWeight: 458.55708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H22N6O3S2/c1-4-17(30-20-23-13(2)12-14(3)24-20)18(27)25-15-6-8-16(9-7-15)31(28,29)26-19-21-10-5-11-22-19/h5-12,17H,4H2,1-3H3,(H,25,27)(H,21,22,26)