N-methyl-3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide

Systemtic Name: N-methyl-3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide Openeye Name: N-methyl-3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide CAS Name: N-methyl-3-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]methyl]benzenesulfonamide IUPAC Name: N-methyl-3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide Traditional Name: N-methyl-3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC(=C1)CNC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC(=C1)CNC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H18N6O2S/c1-20-28(26,27)16-9-5-6-14(10-16)11-21-18-17-12-24-25(19(17)23-13-22-18)15-7-3-2-4-8-15/h2-10,12-13,20H,11H2,1H3,(H,21,22,23)