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

Systemtic Name: 3-azanyl-6-(4-azanylpiperidin-1-yl)-4-(4-cyano-3-fluoranyl-phenyl)thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-(4-amino-1-piperidyl)-4-(4-cyano-3-fluoro-phenyl)thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-(4-amino-1-piperidinyl)-4-(4-cyano-3-fluorophenyl)-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-(4-aminopiperidino)-4-(4-cyano-3-fluoro-phenyl)thieno[2,3-b]pyridine-2-carboxylic acid Formula: C20H18FN5O2S MolecularWeight: 411.452623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN5O2S/c21-14-7-10(1-2-11(14)9-22)13-8-15(26-5-3-12(23)4-6-26)25-19-16(13)17(24)18(29-19)20(27)28/h1-2,7-8,12H,3-6,23-24H2,(H,27,28)