3-azanyl-6-[4-[(2-azanyl-2-oxidanylidene-ethyl)amino]piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-6-[4-[(2-azanyl-2-oxidanylidene-ethyl)amino]piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-[(2-amino-2-oxo-ethyl)amino]-1-piperidyl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[(2-amino-2-oxoethyl)amino]-1-piperidinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-[(2-amino-2-keto-ethyl)amino]piperidino]-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)N3CCC(CC3)NCC(=O)N

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(=O)N

InChI

InChI=1S/C18H25N5O3S/c1-2-3-10-8-13(22-17-14(10)15(20)16(27-17)18(25)26)23-6-4-11(5-7-23)21-9-12(19)24/h8,11,21H,2-7,9,20H2,1H3,(H2,19,24)(H,25,26)