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

Systemtic Name: 2-bromanyl-3-but-2-ynyl-5-[(3-methylisoquinolin-1-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-bromo-3-but-2-ynyl-5-[(3-methyl-1-isoquinolyl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-bromo-3-but-2-ynyl-5-[(3-methyl-1-isoquinolinyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-bromo-3-but-2-ynyl-5-[(3-methylisoquinolin-1-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-bromo-3-but-2-ynyl-5-[(3-methyl-1-isoquinolyl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C20H16BrN5O MolecularWeight: 422.27794

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=NC(=CC4=CC=CC=C43)C)N=C1Br

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC(=CC4=CC=CC=C43)C)N=C1Br

InChI

InChI=1S/C20H16BrN5O/c1-3-4-9-25-18-16(24-20(25)21)11-22-26(19(18)27)12-17-15-8-6-5-7-14(15)10-13(2)23-17/h5-8,10-11H,9,12H2,1-2H3