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

Systemtic Name: 3-azanyl-6-piperazin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-piperazin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-(1-piperazinyl)-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-piperazin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-piperazino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid Formula: C13H13F3N4O2S MolecularWeight: 346.32813

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)O)N

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)O)N

InChI

InChI=1S/C13H13F3N4O2S/c14-13(15,16)6-5-7(20-3-1-18-2-4-20)19-11-8(6)9(17)10(23-11)12(21)22/h5,18H,1-4,17H2,(H,21,22)