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

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-3-but-2-ynyl-4-oxidanylidene-imidazo[4,5-d]pyridazin-5-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-3-but-2-ynyl-4-oxo-imidazo[4,5-d]pyridazin-5-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-3-but-2-ynyl-4-oxo-5-imidazo[4,5-d]pyridazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-4-oxoimidazo[4,5-d]pyridazin-5-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-3-but-2-ynyl-4-keto-imidazo[4,5-d]pyridazin-5-yl]methyl]-1H-quinazolin-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=NC(=O)C4=CC=CC=C4N3)N=C1N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC(=O)C4=CC=CC=C4N3)N=C1N5CCC[C@H](C5)N

InChI

InChI=1S/C23H24N8O2/c1-2-3-11-30-20-18(27-23(30)29-10-6-7-15(24)13-29)12-25-31(22(20)33)14-19-26-17-9-5-4-8-16(17)21(32)28-19/h4-5,8-9,12,15H,6-7,10-11,13-14,24H2,1H3,(H,26,28,32)/t15-/m1/s1