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

Systemtic Name: 3-azanyl-6-(4-piperidin-4-ylcarbonylpiperazin-1-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-(piperidine-4-carbonyl)piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[oxo(4-piperidinyl)methyl]-1-piperazinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-(piperidine-4-carbonyl)piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-(4-isonipecotoylpiperazino)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCN(CC3)C(=O)C4CCNCC4

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCN(CC3)C(=O)C4CCNCC4

InChI

InChI=1S/C21H29N5O3S/c1-2-3-14-12-15(24-19-16(14)17(22)18(30-19)21(28)29)25-8-10-26(11-9-25)20(27)13-4-6-23-7-5-13/h12-13,23H,2-11,22H2,1H3,(H,28,29)