methyl 3-but-2-ynyl-4-oxidanylidene-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridine-6-carboxylate

Systemtic Name: methyl 3-but-2-ynyl-4-oxidanylidene-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridine-6-carboxylate Openeye Name: methyl 3-but-2-ynyl-4-oxo-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridine-6-carboxylate CAS Name: 3-but-2-ynyl-4-oxo-2-(1-piperazinyl)-5H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester IUPAC Name: methyl 3-but-2-ynyl-4-oxo-2-piperazin-1-yl-5H-imidazo[4,5-c]pyridine-6-carboxylate Traditional Name: 3-but-2-ynyl-4-keto-2-piperazino-5H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=C(NC2=O)C(=O)OC)N=C1N3CCNCC3

Isomeric SMILES

CC#CCN1C2=C(C=C(NC2=O)C(=O)OC)N=C1N3CCNCC3

InChI

InChI=1S/C16H19N5O3/c1-3-4-7-21-13-11(10-12(15(23)24-2)18-14(13)22)19-16(21)20-8-5-17-6-9-20/h10,17H,5-9H2,1-2H3,(H,18,22)