2-[(3R)-3-azanylpiperidin-1-yl]-3-but-2-ynyl-5-[(5-oxidanidylphenanthridin-5-ium-6-yl)methyl]imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 2-[(3R)-3-azanylpiperidin-1-yl]-3-but-2-ynyl-5-[(5-oxidanidylphenanthridin-5-ium-6-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-[(3R)-3-amino-1-piperidyl]-3-but-2-ynyl-5-[(5-oxidophenanthridin-5-ium-6-yl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-[(3R)-3-amino-1-piperidinyl]-3-but-2-ynyl-5-[(5-oxido-6-phenanthridin-5-iumyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-5-[(5-oxidophenanthridin-5-ium-6-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-[(3R)-3-aminopiperidino]-3-but-2-ynyl-5-[(5-oxidophenanthridin-5-ium-6-yl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C28H27N7O2 MolecularWeight: 493.55968

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=[N+](C4=CC=CC=C4C5=CC=CC=C53)[O-])N=C1N6CCCC(C6)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=[N+](C4=CC=CC=C4C5=CC=CC=C53)[O-])N=C1N6CCC[C@H](C6)N

InChI

InChI=1S/C28H27N7O2/c1-2-3-15-33-26-23(31-28(33)32-14-8-9-19(29)17-32)16-30-34(27(26)36)18-25-22-12-5-4-10-20(22)21-11-6-7-13-24(21)35(25)37/h4-7,10-13,16,19H,8-9,14-15,17-18,29H2,1H3/t19-/m1/s1