N-(4-ethylphenyl)-4-(methylamino)-6-methylsulfanyl-2-(4-sulfamoylphenyl)pyrimidine-5-carboxamide

Systemtic Name: N-(4-ethylphenyl)-4-(methylamino)-6-methylsulfanyl-2-(4-sulfamoylphenyl)pyrimidine-5-carboxamide Openeye Name: N-(4-ethylphenyl)-4-(methylamino)-6-methylsulfanyl-2-(4-sulfamoylphenyl)pyrimidine-5-carboxamide CAS Name: N-(4-ethylphenyl)-4-(methylamino)-6-(methylthio)-2-(4-sulfamoylphenyl)-5-pyrimidinecarboxamide IUPAC Name: N-(4-ethylphenyl)-4-(methylamino)-6-methylsulfanyl-2-(4-sulfamoylphenyl)pyrimidine-5-carboxamide Traditional Name: N-(4-ethylphenyl)-4-(methylamino)-6-(methylthio)-2-(4-sulfamoylphenyl)pyrimidine-5-carboxamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(N=C(N=C2SC)C3=CC=C(C=C3)S(=O)(=O)N)NC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(N=C(N=C2SC)C3=CC=C(C=C3)S(=O)(=O)N)NC

InChI

InChI=1S/C21H23N5O3S2/c1-4-13-5-9-15(10-6-13)24-20(27)17-19(23-2)25-18(26-21(17)30-3)14-7-11-16(12-8-14)31(22,28)29/h5-12H,4H2,1-3H3,(H,24,27)(H2,22,28,29)(H,23,25,26)