tert-butyl 4-(1-but-2-ynyl-7-oxidanylidene-6H-imidazo[4,5-d]pyridazin-2-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(1-but-2-ynyl-7-oxidanylidene-6H-imidazo[4,5-d]pyridazin-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(1-but-2-ynyl-7-oxo-6H-imidazo[4,5-d]pyridazin-2-yl)piperazine-1-carboxylate CAS Name: 4-(1-but-2-ynyl-7-oxo-6H-imidazo[4,5-d]pyridazin-2-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-but-2-ynyl-7-oxo-6H-imidazo[4,5-d]pyridazin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(1-but-2-ynyl-7-keto-6H-imidazo[4,5-d]pyridazin-2-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NNC2=O)N=C1N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC#CCN1C2=C(C=NNC2=O)N=C1N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H24N6O3/c1-5-6-7-24-14-13(12-19-21-15(14)25)20-16(24)22-8-10-23(11-9-22)17(26)27-18(2,3)4/h12H,7-11H2,1-4H3,(H,21,25)