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

Systemtic Name: 3-azanyl-6-(4-ethanimidoylpiperazin-1-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-(4-ethanimidoylpiperazin-1-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-(1-iminoethyl)-1-piperazinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-(4-ethanimidoylpiperazin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 6-(4-acetimidoylpiperazino)-3-amino-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCN(CC3)C(=N)C

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCN(CC3)C(=N)C

InChI

InChI=1S/C17H23N5O2S/c1-3-4-11-9-12(22-7-5-21(6-8-22)10(2)18)20-16-13(11)14(19)15(25-16)17(23)24/h9,18H,3-8,19H2,1-2H3,(H,23,24)