3-azanyl-4-[4-(phenylmethyl)piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-4-[4-(phenylmethyl)piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-4-(4-benzyl-1-piperidyl)thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-4-[4-(phenylmethyl)-1-piperidinyl]-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-4-(4-benzylpiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-4-(4-benzylpiperidino)thieno[2,3-b]pyridine-2-carboxylic acid Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C4C(=C(SC4=NC=C3)C(=O)O)N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C4C(=C(SC4=NC=C3)C(=O)O)N

InChI

InChI=1S/C20H21N3O2S/c21-17-16-15(6-9-22-19(16)26-18(17)20(24)25)23-10-7-14(8-11-23)12-13-4-2-1-3-5-13/h1-6,9,14H,7-8,10-12,21H2,(H,24,25)