3-but-2-ynyl-2-piperazin-1-yl-5-[(2,3,8-trimethylquinoxalin-6-yl)methyl]imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 3-but-2-ynyl-2-piperazin-1-yl-5-[(2,3,8-trimethylquinoxalin-6-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-2-piperazin-1-yl-5-[(2,3,8-trimethylquinoxalin-6-yl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-2-(1-piperazinyl)-5-[(2,3,8-trimethyl-6-quinoxalinyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-2-piperazin-1-yl-5-[(2,3,8-trimethylquinoxalin-6-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-2-piperazino-5-[(2,3,8-trimethylquinoxalin-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=CC(=C4C(=C3)N=C(C(=N4)C)C)C)N=C1N5CCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC(=C4C(=C3)N=C(C(=N4)C)C)C)N=C1N5CCNCC5

InChI

InChI=1S/C25H28N8O/c1-5-6-9-32-23-21(30-25(32)31-10-7-26-8-11-31)14-27-33(24(23)34)15-19-12-16(2)22-20(13-19)28-17(3)18(4)29-22/h12-14,26H,7-11,15H2,1-4H3