tert-butyl 2-azanyl-4-[3-[[4,5-bis(bromanyl)-1H-pyrrol-2-yl]carbonylamino]propyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 2-azanyl-4-[3-[[4,5-bis(bromanyl)-1H-pyrrol-2-yl]carbonylamino]propyl]imidazole-1-carboxylate Openeye Name: tert-butyl 2-amino-4-[3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]propyl]imidazole-1-carboxylate CAS Name: 2-amino-4-[3-[[(4,5-dibromo-1H-pyrrol-2-yl)-oxomethyl]amino]propyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-4-[3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]propyl]imidazole-1-carboxylate Traditional Name: 2-amino-4-[3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]propyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C16H21Br2N5O3 MolecularWeight: 491.17764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(N=C1N)CCCNC(=O)C2=CC(=C(N2)Br)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(N=C1N)CCCNC(=O)C2=CC(=C(N2)Br)Br

InChI

InChI=1S/C16H21Br2N5O3/c1-16(2,3)26-15(25)23-8-9(21-14(23)19)5-4-6-20-13(24)11-7-10(17)12(18)22-11/h7-8,22H,4-6H2,1-3H3,(H2,19,21)(H,20,24)