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

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-[(4-methylpyridin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-5-[(4-methyl-2-pyridyl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-5-[(4-methyl-2-pyridinyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-[(4-methylpyridin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-5-[(4-methyl-2-pyridyl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=NC=CC(=C3)C)N=C1N4CCCC(C4)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC=CC(=C3)C)N=C1N4CCCC(C4)N

InChI

InChI=1S/C21H25N7O/c1-3-4-10-27-19-18(25-21(27)26-9-5-6-16(22)13-26)12-24-28(20(19)29)14-17-11-15(2)7-8-23-17/h7-8,11-12,16H,5-6,9-10,13-14,22H2,1-2H3