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

Systemtic Name: 3-[[2-(2H-benzotriazol-5-ylamino)-5-fluoranyl-pyrimidin-4-yl]-(1H-indazol-4-yl)amino]propan-1-ol Openeye Name: 3-[[2-(2H-benzotriazol-5-ylamino)-5-fluoro-pyrimidin-4-yl]-(1H-indazol-4-yl)amino]propan-1-ol CAS Name: 3-[[2-(2H-benzotriazol-5-ylamino)-5-fluoro-4-pyrimidinyl]-(1H-indazol-4-yl)amino]-1-propanol IUPAC Name: 3-[[2-(2H-benzotriazol-5-ylamino)-5-fluoropyrimidin-4-yl]-(1H-indazol-4-yl)amino]propan-1-ol Traditional Name: 3-[[2-(2H-benzotriazol-5-ylamino)-5-fluoro-pyrimidin-4-yl]-(1H-indazol-4-yl)amino]propan-1-ol Formula: C20H18FN9O MolecularWeight: 419.415023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=NN2)C(=C1)N(CCCO)C3=NC(=NC=C3F)NC4=CC5=NNN=C5C=C4

Isomeric SMILES

C1=CC2=C(C=NN2)C(=C1)N(CCCO)C3=NC(=NC=C3F)NC4=CC5=NNN=C5C=C4

InChI

InChI=1S/C20H18FN9O/c21-14-11-22-20(24-12-5-6-16-17(9-12)28-29-27-16)25-19(14)30(7-2-8-31)18-4-1-3-15-13(18)10-23-26-15/h1,3-6,9-11,31H,2,7-8H2,(H,23,26)(H,22,24,25)(H,27,28,29)