3-[[4-[1H-indazol-4-yl(3-oxidanylpropyl)amino]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[4-[1H-indazol-4-yl(3-oxidanylpropyl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-[3-hydroxypropyl(1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-[3-hydroxypropyl(1H-indazol-4-yl)amino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-[3-hydroxypropyl(1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-[3-hydroxypropyl(1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C20H21N7O3S MolecularWeight: 439.49084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=CC(=N2)N(CCCO)C3=CC=CC4=C3C=NN4

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=CC(=N2)N(CCCO)C3=CC=CC4=C3C=NN4

InChI

InChI=1S/C20H21N7O3S/c21-31(29,30)15-5-1-4-14(12-15)24-20-22-9-8-19(25-20)27(10-3-11-28)18-7-2-6-17-16(18)13-23-26-17/h1-2,4-9,12-13,28H,3,10-11H2,(H,23,26)(H2,21,29,30)(H,22,24,25)