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

Systemtic Name: 3-but-2-ynyl-5-[(4-morpholin-4-ylquinazolin-2-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-5-[(4-morpholinoquinazolin-2-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-5-[[4-(4-morpholinyl)-2-quinazolinyl]methyl]-2-(1-piperazinyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-5-[(4-morpholin-4-ylquinazolin-2-yl)methyl]-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-5-[(4-morpholinoquinazolin-2-yl)methyl]-2-piperazino-imidazo[4,5-d]pyridazin-4-one Formula: C26H29N9O2 MolecularWeight: 499.56756

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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=C1N6CCNCC6

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=CC=CC=C4C(=N3)N5CCOCC5)N=C1N6CCNCC6

InChI

InChI=1S/C26H29N9O2/c1-2-3-10-34-23-21(30-26(34)33-11-8-27-9-12-33)17-28-35(25(23)36)18-22-29-20-7-5-4-6-19(20)24(31-22)32-13-15-37-16-14-32/h4-7,17,27H,8-16,18H2,1H3