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

Systemtic Name: 3-azanyl-6-[4-[(2-oxidanyl-3-phenylazanyl-propyl)amino]piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-[(3-anilino-2-hydroxy-propyl)amino]-1-piperidyl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[(3-anilino-2-hydroxypropyl)amino]-1-piperidinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(3-anilino-2-hydroxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-[(3-anilino-2-hydroxy-propyl)amino]piperidino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C25H33N5O3S MolecularWeight: 483.62622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(CNC4=CC=CC=C4)O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(CNC4=CC=CC=C4)O

InChI

InChI=1S/C25H33N5O3S/c1-2-6-16-13-20(29-24-21(16)22(26)23(34-24)25(32)33)30-11-9-18(10-12-30)28-15-19(31)14-27-17-7-4-3-5-8-17/h3-5,7-8,13,18-19,27-28,31H,2,6,9-12,14-15,26H2,1H3,(H,32,33)