5-methyl-7-(2-methylpropyl)-2-(quinolin-3-ylmethyl)thieno[2,3-d]pyridazin-4-one hydrochloride

Systemtic Name: 5-methyl-7-(2-methylpropyl)-2-(quinolin-3-ylmethyl)thieno[2,3-d]pyridazin-4-one hydrochloride Openeye Name: 7-isobutyl-5-methyl-2-(3-quinolylmethyl)thieno[2,3-d]pyridazin-4-one hydrochloride CAS Name: 5-methyl-7-(2-methylpropyl)-2-(3-quinolinylmethyl)-4-thieno[2,3-d]pyridazinone hydrochloride IUPAC Name: 5-methyl-7-(2-methylpropyl)-2-(quinolin-3-ylmethyl)thieno[2,3-d]pyridazin-4-one hydrochloride Traditional Name: 7-isobutyl-5-methyl-2-(3-quinolylmethyl)thieno[2,3-d]pyridazin-4-one hydrochloride Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=O)C2=C1SC(=C2)CC3=CC4=CC=CC=C4N=C3)C.Cl

Isomeric SMILES

CC(C)CC1=NN(C(=O)C2=C1SC(=C2)CC3=CC4=CC=CC=C4N=C3)C.Cl

InChI

InChI=1S/C21H21N3OS.ClH/c1-13(2)8-19-20-17(21(25)24(3)23-19)11-16(26-20)10-14-9-15-6-4-5-7-18(15)22-12-14;/h4-7,9,11-13H,8,10H2,1-3H3;1H