4-[[4-(pyridin-2-ylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-(pyridin-2-ylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-(2-pyridylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide CAS Name: 4-[[4-(2-pyridinylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide IUPAC Name: 4-[[4-(pyridin-2-ylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-(2-pyridylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide Formula: C16H14N8O2S MolecularWeight: 382.39976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N8O2S/c17-27(25,26)11-6-4-10(5-7-11)20-16-22-14(12-9-19-24-15(12)23-16)21-13-3-1-2-8-18-13/h1-9H,(H2,17,25,26)(H3,18,19,20,21,22,23,24)