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

Systemtic Name: 4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide Openeye Name: 4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide CAS Name: 4-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]methyl]benzenesulfonamide IUPAC Name: 4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide Traditional Name: 4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide Formula: C13H14N6O2S MolecularWeight: 318.35426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C13H14N6O2S/c1-19-13-11(7-18-19)12(16-8-17-13)15-6-9-2-4-10(5-3-9)22(14,20)21/h2-5,7-8H,6H2,1H3,(H2,14,20,21)(H,15,16,17)