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

Systemtic Name: 3-azanyl-4-[4-(phenylmethyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-4-(4-benzylpiperazin-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-4-[4-(phenylmethyl)-1-piperazinyl]-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-4-(4-benzylpiperazin-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-4-(4-benzylpiperazino)thieno[2,3-b]pyridine-2-carboxylic acid Formula: C19H20N4O2S MolecularWeight: 368.4527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C4C(=C(SC4=NC=C3)C(=O)O)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C4C(=C(SC4=NC=C3)C(=O)O)N

InChI

InChI=1S/C19H20N4O2S/c20-16-15-14(6-7-21-18(15)26-17(16)19(24)25)23-10-8-22(9-11-23)12-13-4-2-1-3-5-13/h1-7H,8-12,20H2,(H,24,25)