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

Systemtic Name: 3-[1H-indazol-4-yl-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]amino]propan-1-ol Openeye Name: 3-[1H-indazol-4-yl-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]amino]propan-1-ol CAS Name: 3-[1H-indazol-4-yl-[2-(3-methylsulfonylanilino)-4-pyrimidinyl]amino]-1-propanol IUPAC Name: 3-[1H-indazol-4-yl-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]amino]propan-1-ol Traditional Name: 3-[1H-indazol-4-yl-[2-(3-mesylanilino)pyrimidin-4-yl]amino]propan-1-ol Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O3S/c1-31(29,30)16-6-2-5-15(13-16)24-21-22-10-9-20(25-21)27(11-4-12-28)19-8-3-7-18-17(19)14-23-26-18/h2-3,5-10,13-14,28H,4,11-12H2,1H3,(H,23,26)(H,22,24,25)