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

Systemtic Name: 4-[(4-phenylazanyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzenesulfonamide Openeye Name: 4-[(4-anilino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzenesulfonamide CAS Name: 4-[(4-anilino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzenesulfonamide IUPAC Name: 4-[(4-anilino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzenesulfonamide Traditional Name: 4-[(4-anilino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzenesulfonamide Formula: C17H15N7O2S MolecularWeight: 381.4117

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C17H15N7O2S/c18-27(25,26)13-8-6-12(7-9-13)21-17-22-15(14-10-19-24-16(14)23-17)20-11-4-2-1-3-5-11/h1-10H,(H2,18,25,26)(H3,19,20,21,22,23,24)