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

Systemtic Name: 3-azanyl-4-methyl-6-piperazin-1-yl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-4-methyl-6-piperazin-1-yl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-4-methyl-6-(1-piperazinyl)-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-4-methyl-6-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-4-methyl-6-piperazino-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCNCC3

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCNCC3

InChI

InChI=1S/C13H16N4O2S/c1-7-6-8(17-4-2-15-3-5-17)16-12-9(7)10(14)11(20-12)13(18)19/h6,15H,2-5,14H2,1H3,(H,18,19)