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

Systemtic Name: 3-azanyl-6-[4-(2-azanylethanoyl)piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-(2-aminoacetyl)piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-(2-amino-1-oxoethyl)-1-piperazinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-(2-aminoacetyl)piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-(4-glycylpiperazino)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O3S/c1-2-3-10-8-11(21-4-6-22(7-5-21)12(23)9-18)20-16-13(10)14(19)15(26-16)17(24)25/h8H,2-7,9,18-19H2,1H3,(H,24,25)