tert-butyl 2-[6-[[5-bromanyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]indol-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-[[5-bromanyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]indol-1-yl]ethanoate Openeye Name: tert-butyl 2-[6-[[5-bromo-4-(2-pyridylmethylamino)pyrimidin-2-yl]amino]indol-1-yl]acetate CAS Name: 2-[6-[[5-bromo-4-(2-pyridinylmethylamino)-2-pyrimidinyl]amino]-1-indolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]indol-1-yl]acetate Traditional Name: 2-[6-[[5-bromo-4-(2-pyridylmethylamino)pyrimidin-2-yl]amino]indol-1-yl]acetic acid tert-butyl ester Formula: C24H25BrN6O2 MolecularWeight: 509.3983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=CC2=C1C=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC=CC=N4)Br

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=CC2=C1C=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC=CC=N4)Br

InChI

InChI=1S/C24H25BrN6O2/c1-24(2,3)33-21(32)15-31-11-9-16-7-8-17(12-20(16)31)29-23-28-14-19(25)22(30-23)27-13-18-6-4-5-10-26-18/h4-12,14H,13,15H2,1-3H3,(H2,27,28,29,30)