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

Systemtic Name: 3-azanyl-6-[4-[(2-oxidanyl-3-phenyl-propyl)amino]piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-[(2-hydroxy-3-phenyl-propyl)amino]-1-piperidyl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[(2-hydroxy-3-phenylpropyl)amino]-1-piperidinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(2-hydroxy-3-phenylpropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-[(2-hydroxy-3-phenyl-propyl)amino]piperidino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(CC4=CC=CC=C4)O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(CC4=CC=CC=C4)O

InChI

InChI=1S/C25H32N4O3S/c1-2-6-17-14-20(28-24-21(17)22(26)23(33-24)25(31)32)29-11-9-18(10-12-29)27-15-19(30)13-16-7-4-3-5-8-16/h3-5,7-8,14,18-19,27,30H,2,6,9-13,15,26H2,1H3,(H,31,32)