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

Systemtic Name: 3-azanyl-6-(4-azanylpiperidin-1-yl)-4-[(E)-2-pyridin-4-ylethenyl]thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-(4-amino-1-piperidyl)-4-[(E)-2-(4-pyridyl)vinyl]thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-(4-amino-1-piperidinyl)-4-[(E)-2-pyridin-4-ylethenyl]-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-pyridin-4-ylethenyl]thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-(4-aminopiperidino)-4-[(E)-2-(4-pyridyl)vinyl]thieno[2,3-b]pyridine-2-carboxylic acid Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N)C2=NC3=C(C(=C2)C=CC4=CC=NC=C4)C(=C(S3)C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2S/c21-14-5-9-25(10-6-14)15-11-13(2-1-12-3-7-23-8-4-12)16-17(22)18(20(26)27)28-19(16)24-15/h1-4,7-8,11,14H,5-6,9-10,21-22H2,(H,26,27)/b2-1+