3-azanyl-4-[methyl-(2-oxidanyl-2-phenyl-ethyl)amino]thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-4-[methyl-(2-oxidanyl-2-phenyl-ethyl)amino]thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-4-[(2-hydroxy-2-phenyl-ethyl)-methyl-amino]thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-4-[(2-hydroxy-2-phenylethyl)-methylamino]-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-4-[(2-hydroxy-2-phenylethyl)-methylamino]thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-4-[(2-hydroxy-2-phenyl-ethyl)-methyl-amino]thieno[2,3-b]pyridine-2-carboxylic acid Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(C1=CC=CC=C1)O)C2=C3C(=C(SC3=NC=C2)C(=O)O)N

Isomeric SMILES

CN(CC(C1=CC=CC=C1)O)C2=C3C(=C(SC3=NC=C2)C(=O)O)N

InChI

InChI=1S/C17H17N3O3S/c1-20(9-12(21)10-5-3-2-4-6-10)11-7-8-19-16-13(11)14(18)15(24-16)17(22)23/h2-8,12,21H,9,18H2,1H3,(H,22,23)