3-[[4-[[3-(hydroxymethyl)-2-methyl-indazol-6-yl]-methyl-amino]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[4-[[3-(hydroxymethyl)-2-methyl-indazol-6-yl]-methyl-amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-[[3-(hydroxymethyl)-2-methyl-indazol-6-yl]-methyl-amino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-[[3-(hydroxymethyl)-2-methyl-6-indazolyl]-methylamino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-[[3-(hydroxymethyl)-2-methylindazol-6-yl]-methylamino]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-[methyl-(2-methyl-3-methylol-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C20H21N7O3S MolecularWeight: 439.49084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=CC2=N1)N(C)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N)CO

Isomeric SMILES

CN1C(=C2C=CC(=CC2=N1)N(C)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N)CO

InChI

InChI=1S/C20H21N7O3S/c1-26(14-6-7-16-17(11-14)25-27(2)18(16)12-28)19-8-9-22-20(24-19)23-13-4-3-5-15(10-13)31(21,29)30/h3-11,28H,12H2,1-2H3,(H2,21,29,30)(H,22,23,24)