tert-butyl 2-[2-azanyl-1-(phenylmethoxymethyl)imidazo[4,5-c]pyridin-4-yl]-5-bromanyl-pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[2-azanyl-1-(phenylmethoxymethyl)imidazo[4,5-c]pyridin-4-yl]-5-bromanyl-pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[2-amino-1-(benzyloxymethyl)imidazo[4,5-c]pyridin-4-yl]-5-bromo-pyrrole-1-carboxylate CAS Name: 2-[2-amino-1-(phenylmethoxymethyl)-4-imidazo[4,5-c]pyridinyl]-5-bromo-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-amino-1-(phenylmethoxymethyl)imidazo[4,5-c]pyridin-4-yl]-5-bromopyrrole-1-carboxylate Traditional Name: 2-[2-amino-1-(benzoxymethyl)imidazo[4,5-c]pyridin-4-yl]-5-bromo-pyrrole-1-carboxylic acid tert-butyl ester Formula: C23H24BrN5O3 MolecularWeight: 498.37236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC=C1Br)C2=NC=CC3=C2N=C(N3COCC4=CC=CC=C4)N

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC=C1Br)C2=NC=CC3=C2N=C(N3COCC4=CC=CC=C4)N

InChI

InChI=1S/C23H24BrN5O3/c1-23(2,3)32-22(30)29-17(9-10-18(29)24)19-20-16(11-12-26-19)28(21(25)27-20)14-31-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H2,25,27)