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

Systemtic Name: 3-azanyl-6-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-[(2-hydroxyphenyl)methylamino]-1-piperidyl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[(2-hydroxyphenyl)methylamino]-1-piperidinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-4-propyl-6-[4-(salicylamino)piperidino]thieno[2,3-b]pyridine-2-carboxylic acid Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC4=CC=CC=C4O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC4=CC=CC=C4O

InChI

InChI=1S/C23H28N4O3S/c1-2-5-14-12-18(26-22-19(14)20(24)21(31-22)23(29)30)27-10-8-16(9-11-27)25-13-15-6-3-4-7-17(15)28/h3-4,6-7,12,16,25,28H,2,5,8-11,13,24H2,1H3,(H,29,30)