3-[[2-[[1,1-bis(oxidanylidene)-2,3-dihydro-1,2-benzothiazol-6-yl]amino]-5-fluoranyl-pyrimidin-4-yl]-(1H-indazol-4-yl)amino]propan-1-ol

Systemtic Name: 3-[[2-[[1,1-bis(oxidanylidene)-2,3-dihydro-1,2-benzothiazol-6-yl]amino]-5-fluoranyl-pyrimidin-4-yl]-(1H-indazol-4-yl)amino]propan-1-ol Openeye Name: 3-[[2-[(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-yl)amino]-5-fluoro-pyrimidin-4-yl]-(1H-indazol-4-yl)amino]propan-1-ol CAS Name: 3-[[2-[(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-yl)amino]-5-fluoro-4-pyrimidinyl]-(1H-indazol-4-yl)amino]-1-propanol IUPAC Name: 3-[[2-[(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-yl)amino]-5-fluoropyrimidin-4-yl]-(1H-indazol-4-yl)amino]propan-1-ol Traditional Name: 3-[[2-[(1,1-diketo-2,3-dihydro-1,2-benzothiazol-6-yl)amino]-5-fluoro-pyrimidin-4-yl]-(1H-indazol-4-yl)amino]propan-1-ol Formula: C21H20FN7O3S MolecularWeight: 469.492003

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)NC3=NC=C(C(=N3)N(CCCO)C4=CC=CC5=C4C=NN5)F)S(=O)(=O)N1

Isomeric SMILES

C1C2=C(C=C(C=C2)NC3=NC=C(C(=N3)N(CCCO)C4=CC=CC5=C4C=NN5)F)S(=O)(=O)N1

InChI

InChI=1S/C21H20FN7O3S/c22-16-12-23-21(26-14-6-5-13-10-25-33(31,32)19(13)9-14)27-20(16)29(7-2-8-30)18-4-1-3-17-15(18)11-24-28-17/h1,3-6,9,11-12,25,30H,2,7-8,10H2,(H,24,28)(H,23,26,27)