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

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-[(4-morpholin-4-ylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-5-[(4-morpholinoquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-5-[[4-(4-morpholinyl)-2-quinazolinyl]methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-[(4-morpholin-4-ylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-5-[(4-morpholinoquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C27H31N9O2 MolecularWeight: 513.59414

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=CC=CC=C4C(=N3)N5CCOCC5)N=C1N6CCCC(C6)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=CC=CC=C4C(=N3)N5CCOCC5)N=C1N6CCCC(C6)N

InChI

InChI=1S/C27H31N9O2/c1-2-3-11-35-24-22(31-27(35)34-10-6-7-19(28)17-34)16-29-36(26(24)37)18-23-30-21-9-5-4-8-20(21)25(32-23)33-12-14-38-15-13-33/h4-5,8-9,16,19H,6-7,10-15,17-18,28H2,1H3