2-(3-azanylpiperazin-1-yl)-3-but-2-ynyl-5-methyl-imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 2-(3-azanylpiperazin-1-yl)-3-but-2-ynyl-5-methyl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-aminopiperazin-1-yl)-3-but-2-ynyl-5-methyl-imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperazinyl)-3-but-2-ynyl-5-methyl-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperazin-1-yl)-3-but-2-ynyl-5-methylimidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperazino)-3-but-2-ynyl-5-methyl-imidazo[4,5-d]pyridazin-4-one Formula: C14H19N7O MolecularWeight: 301.34696

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)C)N=C1N3CCNC(C3)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)C)N=C1N3CCNC(C3)N

InChI

InChI=1S/C14H19N7O/c1-3-4-6-21-12-10(8-17-19(2)13(12)22)18-14(21)20-7-5-16-11(15)9-20/h8,11,16H,5-7,9,15H2,1-2H3