2-(6-ethyl-1,5,7-trimethyl-pyrrolo[3,4-d]pyridazin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(6-ethyl-1,5,7-trimethyl-pyrrolo[3,4-d]pyridazin-4-yl)sulfanylethanoic acid Openeye Name: 2-(6-ethyl-1,5,7-trimethyl-pyrrolo[3,4-d]pyridazin-4-yl)sulfanylacetic acid CAS Name: 2-[(6-ethyl-1,5,7-trimethyl-4-pyrrolo[3,4-d]pyridazinyl)thio]acetic acid IUPAC Name: 2-(6-ethyl-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-yl)sulfanylacetic acid Traditional Name: 2-[(6-ethyl-1,5,7-trimethyl-pyrrolo[3,4-d]pyridazin-4-yl)thio]acetic acid Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C(=NN=C(C2=C1C)SCC(=O)O)C)C

Isomeric SMILES

CCN1C(=C2C(=NN=C(C2=C1C)SCC(=O)O)C)C

InChI

InChI=1S/C13H17N3O2S/c1-5-16-8(3)11-7(2)14-15-13(12(11)9(16)4)19-6-10(17)18/h5-6H2,1-4H3,(H,17,18)