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

Systemtic Name: 3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(4-methyl-2-quinazolinyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C24H26N8O MolecularWeight: 442.51624

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=CC=CC=C4C(=N3)C)N=C1N5CCCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=CC=CC=C4C(=N3)C)N=C1N5CCCNCC5

InChI

InChI=1S/C24H26N8O/c1-3-4-13-31-22-20(29-24(31)30-12-7-10-25-11-14-30)15-26-32(23(22)33)16-21-27-17(2)18-8-5-6-9-19(18)28-21/h5-6,8-9,15,25H,7,10-14,16H2,1-2H3