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

Systemtic Name: 3-but-2-ynyl-5-[[4-(dimethylamino)quinazolin-2-yl]methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-5-[[4-(dimethylamino)quinazolin-2-yl]methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-5-[[4-(dimethylamino)-2-quinazolinyl]methyl]-2-(1-piperazinyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-5-[[4-(dimethylamino)quinazolin-2-yl]methyl]-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-5-[[4-(dimethylamino)quinazolin-2-yl]methyl]-2-piperazino-imidazo[4,5-d]pyridazin-4-one Formula: C24H27N9O MolecularWeight: 457.53088

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=CC=CC=C4C(=N3)N(C)C)N=C1N5CCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=CC=CC=C4C(=N3)N(C)C)N=C1N5CCNCC5

InChI

InChI=1S/C24H27N9O/c1-4-5-12-32-21-19(28-24(32)31-13-10-25-11-14-31)15-26-33(23(21)34)16-20-27-18-9-7-6-8-17(18)22(29-20)30(2)3/h6-9,15,25H,10-14,16H2,1-3H3