3-azanyl-6-[4-[(2-oxidanyl-3-quinolin-5-yloxy-propyl)amino]piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-6-[4-[(2-oxidanyl-3-quinolin-5-yloxy-propyl)amino]piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-[[2-hydroxy-3-(5-quinolyloxy)propyl]amino]-1-piperidyl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[[2-hydroxy-3-(5-quinolinyloxy)propyl]amino]-1-piperidinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(2-hydroxy-3-quinolin-5-yloxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-[[2-hydroxy-3-(5-quinolyloxy)propyl]amino]piperidino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C28H33N5O4S MolecularWeight: 535.65772

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(COC4=CC=CC5=C4C=CC=N5)O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(COC4=CC=CC5=C4C=CC=N5)O

InChI

InChI=1S/C28H33N5O4S/c1-2-5-17-14-23(32-27-24(17)25(29)26(38-27)28(35)36)33-12-9-18(10-13-33)31-15-19(34)16-37-22-8-3-7-21-20(22)6-4-11-30-21/h3-4,6-8,11,14,18-19,31,34H,2,5,9-10,12-13,15-16,29H2,1H3,(H,35,36)