3-[[4-[(3-methyl-2H-indazol-6-yl)-prop-2-ynyl-amino]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[4-[(3-methyl-2H-indazol-6-yl)-prop-2-ynyl-amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-[(3-methyl-2H-indazol-6-yl)-prop-2-ynyl-amino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-[(3-methyl-2H-indazol-6-yl)-prop-2-ynylamino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-[(3-methyl-2H-indazol-6-yl)-prop-2-ynylamino]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-[(3-methyl-2H-indazol-6-yl)-propargyl-amino]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C21H19N7O2S MolecularWeight: 433.48626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=CC2=NN1)N(CC#C)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

CC1=C2C=CC(=CC2=NN1)N(CC#C)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C21H19N7O2S/c1-3-11-28(16-7-8-18-14(2)26-27-19(18)13-16)20-9-10-23-21(25-20)24-15-5-4-6-17(12-15)31(22,29)30/h1,4-10,12-13H,11H2,2H3,(H,26,27)(H2,22,29,30)(H,23,24,25)