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

Systemtic Name: 4-[4-[(phenylmethyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Openeye Name: 4-[4-(benzylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide CAS Name: 4-[4-[(phenylmethyl)amino]-1-pyrazolo[3,4-d]pyrimidinyl]benzenesulfonamide IUPAC Name: 4-[4-(benzylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Traditional Name: 4-[4-(benzylamino)pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Formula: C18H16N6O2S MolecularWeight: 380.42364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C18H16N6O2S/c19-27(25,26)15-8-6-14(7-9-15)24-18-16(11-23-24)17(21-12-22-18)20-10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H2,19,25,26)(H,20,21,22)