2-chloranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxylic acid

Systemtic Name: 2-chloranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-thieno[2,3-b]pyridine-5-carboxylic acid Openeye Name: 2-chloro-7-(4-methylpiperazin-1-yl)-4-oxo-thieno[2,3-b]pyridine-5-carboxylic acid CAS Name: 2-chloro-7-(4-methyl-1-piperazinyl)-4-oxo-5-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 2-chloro-7-(4-methylpiperazin-1-yl)-4-oxothieno[2,3-b]pyridine-5-carboxylic acid Traditional Name: 2-chloro-4-keto-7-(4-methylpiperazino)thieno[2,3-b]pyridine-5-carboxylic acid Formula: C13H14ClN3O3S MolecularWeight: 327.78656

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)N2C=C(C(=O)C3=C2SC(=C3)Cl)C(=O)O

Isomeric SMILES

CN1CCN(CC1)N2C=C(C(=O)C3=C2SC(=C3)Cl)C(=O)O

InChI

InChI=1S/C13H14ClN3O3S/c1-15-2-4-16(5-3-15)17-7-9(13(19)20)11(18)8-6-10(14)21-12(8)17/h6-7H,2-5H2,1H3,(H,19,20)