3-[[5-fluoranyl-4-[1H-indazol-4-yl(3-oxidanylpropyl)amino]pyrimidin-2-yl]amino]benzamide

Systemtic Name: 3-[[5-fluoranyl-4-[1H-indazol-4-yl(3-oxidanylpropyl)amino]pyrimidin-2-yl]amino]benzamide Openeye Name: 3-[[5-fluoro-4-[3-hydroxypropyl(1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide CAS Name: 3-[[5-fluoro-4-[3-hydroxypropyl(1H-indazol-4-yl)amino]-2-pyrimidinyl]amino]benzamide IUPAC Name: 3-[[5-fluoro-4-[3-hydroxypropyl(1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide Traditional Name: 3-[[5-fluoro-4-[3-hydroxypropyl(1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide Formula: C21H20FN7O2 MolecularWeight: 421.427603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN7O2/c22-16-12-24-21(26-14-5-1-4-13(10-14)19(23)31)27-20(16)29(8-3-9-30)18-7-2-6-17-15(18)11-25-28-17/h1-2,4-7,10-12,30H,3,8-9H2,(H2,23,31)(H,25,28)(H,24,26,27)