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

Systemtic Name: 6-(3-aminocarbonylpiperazin-1-yl)-3-azanyl-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-(3-carbamoylpiperazin-1-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-(3-carbamoyl-1-piperazinyl)-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-(3-carbamoylpiperazin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-(3-carbamoylpiperazino)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCNC(C3)C(=O)N

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCNC(C3)C(=O)N

InChI

InChI=1S/C16H21N5O3S/c1-2-3-8-6-10(21-5-4-19-9(7-21)14(18)22)20-15-11(8)12(17)13(25-15)16(23)24/h6,9,19H,2-5,7,17H2,1H3,(H2,18,22)(H,23,24)