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

Systemtic Name: 4-[[4-[(phenylmethyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-(benzylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide CAS Name: 4-[[4-[(phenylmethyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide IUPAC Name: 4-[[4-(benzylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-(benzylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]benzenesulfonamide Formula: C18H17N7O2S MolecularWeight: 395.43828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC3=C2C=NN3)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC3=C2C=NN3)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C18H17N7O2S/c19-28(26,27)14-8-6-13(7-9-14)22-18-23-16(15-11-21-25-17(15)24-18)20-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,19,26,27)(H3,20,21,22,23,24,25)