2-[(3R)-3-azanylpiperidin-1-yl]-3-but-2-ynyl-7-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 2-[(3R)-3-azanylpiperidin-1-yl]-3-but-2-ynyl-7-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-[(3R)-3-amino-1-piperidyl]-3-but-2-ynyl-7-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-[(3R)-3-amino-1-piperidinyl]-3-but-2-ynyl-7-methyl-5-[(4-methyl-2-quinazolinyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-7-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-[(3R)-3-aminopiperidino]-3-but-2-ynyl-7-methyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C25H28N8O MolecularWeight: 456.54282

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C(=NN(C2=O)CC3=NC4=CC=CC=C4C(=N3)C)C)N=C1N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C2=C(C(=NN(C2=O)CC3=NC4=CC=CC=C4C(=N3)C)C)N=C1N5CCC[C@H](C5)N

InChI

InChI=1S/C25H28N8O/c1-4-5-13-32-23-22(29-25(32)31-12-8-9-18(26)14-31)17(3)30-33(24(23)34)15-21-27-16(2)19-10-6-7-11-20(19)28-21/h6-7,10-11,18H,8-9,12-15,26H2,1-3H3/t18-/m1/s1