2-[5-[[5-bromanyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]indazol-1-yl]ethanoic acid

Systemtic Name: 2-[5-[[5-bromanyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]indazol-1-yl]ethanoic acid Openeye Name: 2-[5-[[5-bromo-4-(2-pyridylmethylamino)pyrimidin-2-yl]amino]indazol-1-yl]acetic acid CAS Name: 2-[5-[[5-bromo-4-(2-pyridinylmethylamino)-2-pyrimidinyl]amino]-1-indazolyl]acetic acid IUPAC Name: 2-[5-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]indazol-1-yl]acetic acid Traditional Name: 2-[5-[[5-bromo-4-(2-pyridylmethylamino)pyrimidin-2-yl]amino]indazol-1-yl]acetic acid Formula: C19H16BrN7O2 MolecularWeight: 454.28004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC2=NC(=NC=C2Br)NC3=CC4=C(C=C3)N(N=C4)CC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CNC2=NC(=NC=C2Br)NC3=CC4=C(C=C3)N(N=C4)CC(=O)O

InChI

InChI=1S/C19H16BrN7O2/c20-15-10-23-19(26-18(15)22-9-14-3-1-2-6-21-14)25-13-4-5-16-12(7-13)8-24-27(16)11-17(28)29/h1-8,10H,9,11H2,(H,28,29)(H2,22,23,25,26)