3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]propionamide Formula: C19H20N6O3S2 MolecularWeight: 444.5305

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C

InChI

InChI=1S/C19H20N6O3S2/c1-13-12-14(2)23-19(22-13)29-11-8-17(26)24-15-4-6-16(7-5-15)30(27,28)25-18-20-9-3-10-21-18/h3-7,9-10,12H,8,11H2,1-2H3,(H,24,26)(H,20,21,25)