2-[(3R)-3-azanylpiperidin-1-yl]-3-but-2-ynyl-5-[(3-oxidanidylquinazolin-3-ium-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 2-[(3R)-3-azanylpiperidin-1-yl]-3-but-2-ynyl-5-[(3-oxidanidylquinazolin-3-ium-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-[(3R)-3-amino-1-piperidyl]-3-but-2-ynyl-5-[(3-oxidoquinazolin-3-ium-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-[(3R)-3-amino-1-piperidinyl]-3-but-2-ynyl-5-[(3-oxido-2-quinazolin-3-iumyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-5-[(3-oxidoquinazolin-3-ium-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-[(3R)-3-aminopiperidino]-3-but-2-ynyl-5-[(3-oxidoquinazolin-3-ium-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C23H24N8O2 MolecularWeight: 444.48906

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=CC=CC=C4C=[N+]3[O-])N=C1N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=CC=CC=C4C=[N+]3[O-])N=C1N5CCC[C@H](C5)N

InChI

InChI=1S/C23H24N8O2/c1-2-3-11-29-21-19(27-23(29)28-10-6-8-17(24)14-28)12-25-30(22(21)32)15-20-26-18-9-5-4-7-16(18)13-31(20)33/h4-5,7,9,12-13,17H,6,8,10-11,14-15,24H2,1H3/t17-/m1/s1