3-azanyl-6-(4-oxidanylazepan-1-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-6-(4-oxidanylazepan-1-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-(4-hydroxyazepan-1-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-(4-hydroxy-1-azepanyl)-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-(4-hydroxyazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-(4-hydroxyazepan-1-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCCC(CC3)O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCCC(CC3)O

InChI

InChI=1S/C17H23N3O3S/c1-2-4-10-9-12(20-7-3-5-11(21)6-8-20)19-16-13(10)14(18)15(24-16)17(22)23/h9,11,21H,2-8,18H2,1H3,(H,22,23)