tert-butyl 2-[5-[[5-bromanyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]indazol-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-[[5-bromanyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]indazol-1-yl]ethanoate Openeye Name: tert-butyl 2-[5-[[5-bromo-4-(2-pyridylmethylamino)pyrimidin-2-yl]amino]indazol-1-yl]acetate CAS Name: 2-[5-[[5-bromo-4-(2-pyridinylmethylamino)-2-pyrimidinyl]amino]-1-indazolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]indazol-1-yl]acetate Traditional Name: 2-[5-[[5-bromo-4-(2-pyridylmethylamino)pyrimidin-2-yl]amino]indazol-1-yl]acetic acid tert-butyl ester Formula: C23H24BrN7O2 MolecularWeight: 510.38636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=C(C=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC=CC=N4)Br)C=N1

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=C(C=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC=CC=N4)Br)C=N1

InChI

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