3-[2-aminocarbonyl-3-azanyl-6-(4-azanylpiperidin-1-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid

Systemtic Name: 3-[2-aminocarbonyl-3-azanyl-6-(4-azanylpiperidin-1-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid Openeye Name: 3-[3-amino-6-(4-amino-1-piperidyl)-2-carbamoyl-thieno[2,3-b]pyridin-4-yl]benzoic acid CAS Name: 3-[3-amino-6-(4-amino-1-piperidinyl)-2-carbamoyl-4-thieno[2,3-b]pyridinyl]benzoic acid IUPAC Name: 3-[3-amino-6-(4-aminopiperidin-1-yl)-2-carbamoylthieno[2,3-b]pyridin-4-yl]benzoic acid Traditional Name: 3-[3-amino-6-(4-aminopiperidino)-2-carbamoyl-thieno[2,3-b]pyridin-4-yl]benzoic acid Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3S/c21-12-4-6-25(7-5-12)14-9-13(10-2-1-3-11(8-10)20(27)28)15-16(22)17(18(23)26)29-19(15)24-14/h1-3,8-9,12H,4-7,21-22H2,(H2,23,26)(H,27,28)