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

Systemtic Name: 3-azanyl-4-[methyl-(phenylmethyl)amino]thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-4-[benzyl(methyl)amino]thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-4-[methyl-(phenylmethyl)amino]-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-4-[benzyl(methyl)amino]thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-4-[benzyl(methyl)amino]thieno[2,3-b]pyridine-2-carboxylic acid Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C3C(=C(SC3=NC=C2)C(=O)O)N

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C3C(=C(SC3=NC=C2)C(=O)O)N

InChI

InChI=1S/C16H15N3O2S/c1-19(9-10-5-3-2-4-6-10)11-7-8-18-15-12(11)13(17)14(22-15)16(20)21/h2-8H,9,17H2,1H3,(H,20,21)