3-azanyl-6-(4-azanylpiperidin-1-yl)-4-phenethyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-6-(4-azanylpiperidin-1-yl)-4-phenethyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-(4-amino-1-piperidyl)-4-phenethyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-(4-amino-1-piperidinyl)-4-phenethyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-(4-aminopiperidin-1-yl)-4-phenethylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-(4-aminopiperidino)-4-phenethyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N)C2=NC3=C(C(=C2)CCC4=CC=CC=C4)C(=C(S3)C(=O)O)N

Isomeric SMILES

C1CN(CCC1N)C2=NC3=C(C(=C2)CCC4=CC=CC=C4)C(=C(S3)C(=O)O)N

InChI

InChI=1S/C21H24N4O2S/c22-15-8-10-25(11-9-15)16-12-14(7-6-13-4-2-1-3-5-13)17-18(23)19(21(26)27)28-20(17)24-16/h1-5,12,15H,6-11,22-23H2,(H,26,27)