2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-[(2,3-dimethylquinoxalin-6-yl)methyl]imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-[(2,3-dimethylquinoxalin-6-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-5-[(2,3-dimethylquinoxalin-6-yl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-5-[(2,3-dimethyl-6-quinoxalinyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-[(2,3-dimethylquinoxalin-6-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-5-[(2,3-dimethylquinoxalin-6-yl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C25H28N8O MolecularWeight: 456.54282

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=C(C=C3)N=C(C(=N4)C)C)N=C1N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=C(C=C3)N=C(C(=N4)C)C)N=C1N5CCCC(C5)N

InChI

InChI=1S/C25H28N8O/c1-4-5-11-32-23-22(30-25(32)31-10-6-7-19(26)15-31)13-27-33(24(23)34)14-18-8-9-20-21(12-18)29-17(3)16(2)28-20/h8-9,12-13,19H,6-7,10-11,14-15,26H2,1-3H3