3-azanyl-6-[4-[(2-oxidanyl-3-pyridin-4-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-pyridin-4-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-(4-pyridyloxy)propyl]amino]-1-piperidyl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[(2-hydroxy-3-pyridin-4-yloxypropyl)amino]-1-piperidinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(2-hydroxy-3-pyridin-4-yloxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-[[2-hydroxy-3-(4-pyridyloxy)propyl]amino]piperidino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C24H31N5O4S MolecularWeight: 485.59904

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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=NC=C4)O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(COC4=CC=NC=C4)O

InChI

InChI=1S/C24H31N5O4S/c1-2-3-15-12-19(28-23-20(15)21(25)22(34-23)24(31)32)29-10-6-16(7-11-29)27-13-17(30)14-33-18-4-8-26-9-5-18/h4-5,8-9,12,16-17,27,30H,2-3,6-7,10-11,13-14,25H2,1H3,(H,31,32)