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

Systemtic Name: 3-azanyl-6-[4-[(2-oxidanyl-4-phenyl-butyl)amino]piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-[(2-hydroxy-4-phenyl-butyl)amino]-1-piperidyl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[(2-hydroxy-4-phenylbutyl)amino]-1-piperidinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(2-hydroxy-4-phenylbutyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-[(2-hydroxy-4-phenyl-butyl)amino]piperidino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C26H34N4O3S MolecularWeight: 482.63816

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(CCC4=CC=CC=C4)O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(CCC4=CC=CC=C4)O

InChI

InChI=1S/C26H34N4O3S/c1-2-6-18-15-21(29-25-22(18)23(27)24(34-25)26(32)33)30-13-11-19(12-14-30)28-16-20(31)10-9-17-7-4-3-5-8-17/h3-5,7-8,15,19-20,28,31H,2,6,9-14,16,27H2,1H3,(H,32,33)