4-[[6-[(4-sulfamoylphenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[6-[(4-sulfamoylphenyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: 4-[[6-(4-sulfamoylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: 4-[[6-(4-sulfamoylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide IUPAC Name: 4-[[6-(4-sulfamoylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: 4-[[6-(4-sulfamoylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenesulfonamide Formula: C17H16N8O4S2 MolecularWeight: 460.49014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC3=C2C=NN3)NC4=CC=C(C=C4)S(=O)(=O)N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC3=C2C=NN3)NC4=CC=C(C=C4)S(=O)(=O)N)S(=O)(=O)N

InChI

InChI=1S/C17H16N8O4S2/c18-30(26,27)12-5-1-10(2-6-12)21-15-14-9-20-25-16(14)24-17(23-15)22-11-3-7-13(8-4-11)31(19,28)29/h1-9H,(H2,18,26,27)(H2,19,28,29)(H3,20,21,22,23,24,25)