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

Systemtic Name: 5-methyl-7-(2-methylpropyl)-2-[oxidanyl(quinolin-3-yl)methyl]thieno[2,3-d]pyridazin-4-one Openeye Name: 2-[hydroxy(3-quinolyl)methyl]-7-isobutyl-5-methyl-thieno[2,3-d]pyridazin-4-one CAS Name: 2-[hydroxy(3-quinolinyl)methyl]-5-methyl-7-(2-methylpropyl)-4-thieno[2,3-d]pyridazinone IUPAC Name: 2-[hydroxy(quinolin-3-yl)methyl]-5-methyl-7-(2-methylpropyl)thieno[2,3-d]pyridazin-4-one Traditional Name: 2-[hydroxy(3-quinolyl)methyl]-7-isobutyl-5-methyl-thieno[2,3-d]pyridazin-4-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-12(2)8-17-20-15(21(26)24(3)23-17)10-18(27-20)19(25)14-9-13-6-4-5-7-16(13)22-11-14/h4-7,9-12,19,25H,8H2,1-3H3