3-azanyl-6-[4-[(2-isoquinolin-1-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-1-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-(1-isoquinolyl)ethyl]amino]-1-piperidyl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[[2-hydroxy-2-(1-isoquinolinyl)ethyl]amino]-1-piperidinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(2-hydroxy-2-isoquinolin-1-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-[[2-hydroxy-2-(1-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=NC=CC5=CC=CC=C54)O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(C4=NC=CC5=CC=CC=C54)O

InChI

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