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

Systemtic Name: 3-azanyl-6-(3-azanylazepan-1-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-(3-aminoazepan-1-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-(3-amino-1-azepanyl)-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-(3-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-(3-aminoazepan-1-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCCCC(C3)N

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCCCC(C3)N

InChI

InChI=1S/C17H24N4O2S/c1-2-5-10-8-12(21-7-4-3-6-11(18)9-21)20-16-13(10)14(19)15(24-16)17(22)23/h8,11H,2-7,9,18-19H2,1H3,(H,22,23)