2-(7-bromanyl-3-but-2-ynyl-1-methyl-2-oxidanylidene-imidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylic acid

Systemtic Name: 2-(7-bromanyl-3-but-2-ynyl-1-methyl-2-oxidanylidene-imidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylic acid Openeye Name: 2-(7-bromo-3-but-2-ynyl-1-methyl-2-oxo-imidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylic acid CAS Name: 2-(7-bromo-3-but-2-ynyl-1-methyl-2-oxo-4-imidazo[4,5-c]pyridinyl)-1-piperazinecarboxylic acid IUPAC Name: 2-(7-bromo-3-but-2-ynyl-1-methyl-2-oxoimidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylic acid Traditional Name: 2-(7-bromo-3-but-2-ynyl-2-keto-1-methyl-imidazo[4,5-c]pyridin-4-yl)piperazine-1-carboxylic acid Formula: C16H18BrN5O3 MolecularWeight: 408.24982

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C(=CN=C2C3CNCCN3C(=O)O)Br)N(C1=O)C

Isomeric SMILES

CC#CCN1C2=C(C(=CN=C2C3CNCCN3C(=O)O)Br)N(C1=O)C

InChI

InChI=1S/C16H18BrN5O3/c1-3-4-6-22-14-12(11-9-18-5-7-21(11)16(24)25)19-8-10(17)13(14)20(2)15(22)23/h8,11,18H,5-7,9H2,1-2H3,(H,24,25)