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

Systemtic Name: 2-bromanyl-3-but-2-ynyl-5-[(4-methyl-1,3-benzoxazol-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-bromo-3-but-2-ynyl-5-[(4-methyl-1,3-benzoxazol-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-bromo-3-but-2-ynyl-5-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-bromo-3-but-2-ynyl-5-[(4-methyl-1,3-benzoxazol-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-bromo-3-but-2-ynyl-5-[(4-methyl-1,3-benzoxazol-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C18H14BrN5O2 MolecularWeight: 412.24006

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=C(C=CC=C4O3)C)N=C1Br

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=C(C=CC=C4O3)C)N=C1Br

InChI

InChI=1S/C18H14BrN5O2/c1-3-4-8-23-16-12(21-18(23)19)9-20-24(17(16)25)10-14-22-15-11(2)6-5-7-13(15)26-14/h5-7,9H,8,10H2,1-2H3