2-[(3R)-3-azanylpiperidin-1-yl]-3-but-2-ynyl-5-[(4-methyl-3-oxidanidyl-quinazolin-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-[(4-methyl-3-oxidanidyl-quinazolin-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-[(4-methyl-3-oxido-quinazolin-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-[(4-methyl-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-[(4-methyl-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-[(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C24H26N8O2 MolecularWeight: 458.51564

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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-])C)N=C1N5CCCC(C5)N

Isomeric SMILES

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

InChI

InChI=1S/C24H26N8O2/c1-3-4-12-30-22-20(28-24(30)29-11-7-8-17(25)14-29)13-26-31(23(22)33)15-21-27-19-10-6-5-9-18(19)16(2)32(21)34/h5-6,9-10,13,17H,7-8,11-12,14-15,25H2,1-2H3/t17-/m1/s1