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

Systemtic Name: 3-but-2-ynyl-5-[(4-methylquinazolin-2-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-5-[(4-methylquinazolin-2-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-5-[(4-methyl-2-quinazolinyl)methyl]-2-(1-piperazinyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-5-[(4-methylquinazolin-2-yl)methyl]-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-5-[(4-methylquinazolin-2-yl)methyl]-2-piperazino-imidazo[4,5-d]pyridazin-4-one Formula: C23H24N8O MolecularWeight: 428.48966

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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=C1N5CCNCC5

Isomeric SMILES

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

InChI

InChI=1S/C23H24N8O/c1-3-4-11-30-21-19(28-23(30)29-12-9-24-10-13-29)14-25-31(22(21)32)15-20-26-16(2)17-7-5-6-8-18(17)27-20/h5-8,14,24H,9-13,15H2,1-2H3