tert-butyl 2-azanyl-4-[3-[(1-methylimidazol-2-yl)carbonylamino]propyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 2-azanyl-4-[3-[(1-methylimidazol-2-yl)carbonylamino]propyl]imidazole-1-carboxylate Openeye Name: tert-butyl 2-amino-4-[3-[(1-methylimidazole-2-carbonyl)amino]propyl]imidazole-1-carboxylate CAS Name: 2-amino-4-[3-[[(1-methyl-2-imidazolyl)-oxomethyl]amino]propyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-4-[3-[(1-methylimidazole-2-carbonyl)amino]propyl]imidazole-1-carboxylate Traditional Name: 2-amino-4-[3-[(1-methylimidazole-2-carbonyl)amino]propyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C16H24N6O3 MolecularWeight: 348.40016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(N=C1N)CCCNC(=O)C2=NC=CN2C

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(N=C1N)CCCNC(=O)C2=NC=CN2C

InChI

InChI=1S/C16H24N6O3/c1-16(2,3)25-15(24)22-10-11(20-14(22)17)6-5-7-19-13(23)12-18-8-9-21(12)4/h8-10H,5-7H2,1-4H3,(H2,17,20)(H,19,23)