3-azanyl-6-(5-oxidanylidene-1,4-diazepan-1-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-6-(5-oxidanylidene-1,4-diazepan-1-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-(5-oxo-1,4-diazepan-1-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-(5-oxo-1,4-diazepan-1-yl)-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-(5-oxo-1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-(5-keto-1,4-diazepan-1-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(=O)NCC3

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(=O)NCC3

InChI

InChI=1S/C16H20N4O3S/c1-2-3-9-8-10(20-6-4-11(21)18-5-7-20)19-15-12(9)13(17)14(24-15)16(22)23/h8H,2-7,17H2,1H3,(H,18,21)(H,22,23)