4-(diethylsulfamoyl)-N-[(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)carbamothioyl]benzamide

Systemtic Name: 4-(diethylsulfamoyl)-N-[(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)carbamothioyl]benzamide Openeye Name: 4-(diethylsulfamoyl)-N-[(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)carbamothioyl]benzamide CAS Name: 4-(diethylsulfamoyl)-N-[[(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-(diethylsulfamoyl)-N-[(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)carbamothioyl]benzamide Traditional Name: 4-(diethylsulfamoyl)-N-[(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)thiocarbamoyl]benzamide Formula: C23H23N7O4S2 MolecularWeight: 525.60322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC(=S)NN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC(=S)NN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C23H23N7O4S2/c1-3-28(4-2)36(33,34)18-12-10-16(11-13-18)21(31)26-23(35)27-29-15-24-20-19(22(29)32)14-25-30(20)17-8-6-5-7-9-17/h5-15H,3-4H2,1-2H3,(H2,26,27,31,35)