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

Systemtic Name: 3-azanyl-4-propyl-6-[4-(2-pyridin-4-ylethylamino)piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-4-propyl-6-[4-[2-(4-pyridyl)ethylamino]-1-piperidyl]thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-4-propyl-6-[4-(2-pyridin-4-ylethylamino)-1-piperidinyl]-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-4-propyl-6-[4-(2-pyridin-4-ylethylamino)piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-4-propyl-6-[4-[2-(4-pyridyl)ethylamino]piperidino]thieno[2,3-b]pyridine-2-carboxylic acid Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCCC4=CC=NC=C4

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCCC4=CC=NC=C4

InChI

InChI=1S/C23H29N5O2S/c1-2-3-16-14-18(27-22-19(16)20(24)21(31-22)23(29)30)28-12-7-17(8-13-28)26-11-6-15-4-9-25-10-5-15/h4-5,9-10,14,17,26H,2-3,6-8,11-13,24H2,1H3,(H,29,30)