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

Systemtic Name: 3-azanyl-6-[4-(4-azanylbutanoyl)piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-(4-aminobutanoyl)piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-(4-amino-1-oxobutyl)-1-piperazinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-(4-aminobutanoyl)piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-(4-aminobutanoyl)piperazino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C19H27N5O3S MolecularWeight: 405.51438

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCN(CC3)C(=O)CCCN

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCN(CC3)C(=O)CCCN

InChI

InChI=1S/C19H27N5O3S/c1-2-4-12-11-13(22-18-15(12)16(21)17(28-18)19(26)27)23-7-9-24(10-8-23)14(25)5-3-6-20/h11H,2-10,20-21H2,1H3,(H,26,27)