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

Systemtic Name: 3-azanyl-6-[4-[(2-oxidanyl-2-quinolin-2-yl-ethyl)amino]piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-[[2-hydroxy-2-(2-quinolyl)ethyl]amino]-1-piperidyl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[[2-hydroxy-2-(2-quinolinyl)ethyl]amino]-1-piperidinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(2-hydroxy-2-quinolin-2-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-[[2-hydroxy-2-(2-quinolyl)ethyl]amino]piperidino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C27H31N5O3S MolecularWeight: 505.63174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(C4=NC5=CC=CC=C5C=C4)O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(C4=NC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C27H31N5O3S/c1-2-5-17-14-22(31-26-23(17)24(28)25(36-26)27(34)35)32-12-10-18(11-13-32)29-15-21(33)20-9-8-16-6-3-4-7-19(16)30-20/h3-4,6-9,14,18,21,29,33H,2,5,10-13,15,28H2,1H3,(H,34,35)