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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(C4=CC5=CC=CC=C5C=N4)O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(C4=CC5=CC=CC=C5C=N4)O

InChI

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