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

Systemtic Name: 3-azanyl-6-[4-[(3-isoquinolin-5-yloxy-2-oxidanyl-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-isoquinolyloxy)propyl]amino]-1-piperidyl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[[2-hydroxy-3-(5-isoquinolinyloxy)propyl]amino]-1-piperidinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(2-hydroxy-3-isoquinolin-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-isoquinolyloxy)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=CN=C5)O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(COC4=CC=CC5=C4C=CN=C5)O

InChI

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