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

Systemtic Name: 3-azanyl-6-[4-(3-azanylpropanoyl)piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-(3-aminopropanoyl)piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-(3-amino-1-oxopropyl)-1-piperazinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-(3-aminopropanoyl)piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-(3-aminopropanoyl)piperazino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O3S/c1-2-3-11-10-12(21-17-14(11)15(20)16(27-17)18(25)26)22-6-8-23(9-7-22)13(24)4-5-19/h10H,2-9,19-20H2,1H3,(H,25,26)