2-(3,4-dimethylphenyl)-N'-methyl-4-methylsulfanyl-6-oxidanylidene-1-(4-sulfamoylphenyl)pyrimidine-5-carboximidamide

Systemtic Name: 2-(3,4-dimethylphenyl)-N'-methyl-4-methylsulfanyl-6-oxidanylidene-1-(4-sulfamoylphenyl)pyrimidine-5-carboximidamide Openeye Name: 2-(3,4-dimethylphenyl)-N'-methyl-4-methylsulfanyl-6-oxo-1-(4-sulfamoylphenyl)pyrimidine-5-carboxamidine CAS Name: 2-(3,4-dimethylphenyl)-N'-methyl-4-(methylthio)-6-oxo-1-(4-sulfamoylphenyl)-5-pyrimidinecarboximidamide IUPAC Name: 2-(3,4-dimethylphenyl)-N'-methyl-4-methylsulfanyl-6-oxo-1-(4-sulfamoylphenyl)pyrimidine-5-carboximidamide Traditional Name: 2-(3,4-dimethylphenyl)-6-keto-N'-methyl-4-(methylthio)-1-(4-sulfamoylphenyl)pyrimidine-5-carboxamidine Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=C(C(=O)N2C3=CC=C(C=C3)S(=O)(=O)N)C(=NC)N)SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=C(C(=O)N2C3=CC=C(C=C3)S(=O)(=O)N)C(=NC)N)SC)C

InChI

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