3-[[5-fluoranyl-2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-(1H-indazol-4-yl)amino]propan-1-ol

Systemtic Name: 3-[[5-fluoranyl-2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-(1H-indazol-4-yl)amino]propan-1-ol Openeye Name: 3-[[5-fluoro-2-(3-methylsulfonylanilino)pyrimidin-4-yl]-(1H-indazol-4-yl)amino]propan-1-ol CAS Name: 3-[[5-fluoro-2-(3-methylsulfonylanilino)-4-pyrimidinyl]-(1H-indazol-4-yl)amino]-1-propanol IUPAC Name: 3-[[5-fluoro-2-(3-methylsulfonylanilino)pyrimidin-4-yl]-(1H-indazol-4-yl)amino]propan-1-ol Traditional Name: 3-[[5-fluoro-2-(3-mesylanilino)pyrimidin-4-yl]-(1H-indazol-4-yl)amino]propan-1-ol Formula: C21H21FN6O3S MolecularWeight: 456.493243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN6O3S/c1-32(30,31)15-6-2-5-14(11-15)25-21-23-13-17(22)20(26-21)28(9-4-10-29)19-8-3-7-18-16(19)12-24-27-18/h2-3,5-8,11-13,29H,4,9-10H2,1H3,(H,24,27)(H,23,25,26)