2-(2-azanylethylamino)-3-but-2-ynyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 2-(2-azanylethylamino)-3-but-2-ynyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(2-aminoethylamino)-3-but-2-ynyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(2-aminoethylamino)-3-but-2-ynyl-5-[(4-methyl-2-quinazolinyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(2-aminoethylamino)-3-but-2-ynyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(2-aminoethylamino)-3-but-2-ynyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C21H22N8O MolecularWeight: 402.45238

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=CC=CC=C4C(=N3)C)N=C1NCCN

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=CC=CC=C4C(=N3)C)N=C1NCCN

InChI

InChI=1S/C21H22N8O/c1-3-4-11-28-19-17(27-21(28)23-10-9-22)12-24-29(20(19)30)13-18-25-14(2)15-7-5-6-8-16(15)26-18/h5-8,12H,9-11,13,22H2,1-2H3,(H,23,27)