tert-butyl 2-[6-[[5-bromanyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]indazol-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-[[5-bromanyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]indazol-2-yl]ethanoate Openeye Name: tert-butyl 2-[6-[[5-bromo-4-(2-pyridylmethylamino)pyrimidin-2-yl]amino]indazol-2-yl]acetate CAS Name: 2-[6-[[5-bromo-4-(2-pyridinylmethylamino)-2-pyrimidinyl]amino]-2-indazolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]indazol-2-yl]acetate Traditional Name: 2-[6-[[5-bromo-4-(2-pyridylmethylamino)pyrimidin-2-yl]amino]indazol-2-yl]acetic acid tert-butyl ester Formula: C23H24BrN7O2 MolecularWeight: 510.38636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=C2C=CC(=CC2=N1)NC3=NC=C(C(=N3)NCC4=CC=CC=N4)Br

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=C2C=CC(=CC2=N1)NC3=NC=C(C(=N3)NCC4=CC=CC=N4)Br

InChI

InChI=1S/C23H24BrN7O2/c1-23(2,3)33-20(32)14-31-13-15-7-8-16(10-19(15)30-31)28-22-27-12-18(24)21(29-22)26-11-17-6-4-5-9-25-17/h4-10,12-13H,11,14H2,1-3H3,(H2,26,27,28,29)