3-azanyl-4-ethyl-6-[4-[(2-oxidanyl-2-pyridin-2-yl-ethyl)amino]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-4-ethyl-6-[4-[(2-oxidanyl-2-pyridin-2-yl-ethyl)amino]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-4-ethyl-6-[4-[[2-hydroxy-2-(2-pyridyl)ethyl]amino]-1-piperidyl]thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-4-ethyl-6-[4-[[2-hydroxy-2-(2-pyridinyl)ethyl]amino]-1-piperidinyl]-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-4-ethyl-6-[4-[(2-hydroxy-2-pyridin-2-ylethyl)amino]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-4-ethyl-6-[4-[[2-hydroxy-2-(2-pyridyl)ethyl]amino]piperidino]thieno[2,3-b]pyridine-2-carboxylic acid Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(C4=CC=CC=N4)O

Isomeric SMILES

CCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(C4=CC=CC=N4)O

InChI

InChI=1S/C22H27N5O3S/c1-2-13-11-17(26-21-18(13)19(23)20(31-21)22(29)30)27-9-6-14(7-10-27)25-12-16(28)15-5-3-4-8-24-15/h3-5,8,11,14,16,25,28H,2,6-7,9-10,12,23H2,1H3,(H,29,30)