7-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyridazine-3-carboxylic acid

Systemtic Name: 7-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyridazine-3-carboxylic acid Openeye Name: 7-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyridazine-3-carboxylic acid CAS Name: 7-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-4-oxo-3-thieno[2,3-d]pyridazinecarboxylic acid IUPAC Name: 7-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyridazine-3-carboxylic acid Traditional Name: 7-cyclopropyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-keto-5-methyl-thieno[2,3-d]pyridazine-3-carboxylic acid Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CC2=C(C3=C(S2)C(=NN(C3=O)C)C4CC4)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)CC2=C(C3=C(S2)C(=NN(C3=O)C)C4CC4)C(=O)O

InChI

InChI=1S/C17H18N4O3S/c1-7-10(8(2)19-18-7)6-11-12(17(23)24)13-15(25-11)14(9-4-5-9)20-21(3)16(13)22/h9H,4-6H2,1-3H3,(H,18,19)(H,23,24)