3-azanyl-6-[4-[(2-azanyl-2-oxidanylidene-1-quinolin-3-yl-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-1-quinolin-3-yl-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-1-(3-quinolyl)ethyl]amino]-1-piperidyl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[[2-amino-2-oxo-1-(3-quinolinyl)ethyl]amino]-1-piperidinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(2-amino-2-oxo-1-quinolin-3-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-[[2-amino-2-keto-1-(3-quinolyl)ethyl]amino]piperidino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C27H30N6O3S MolecularWeight: 518.6305

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NC(C4=CC5=CC=CC=C5N=C4)C(=O)N

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NC(C4=CC5=CC=CC=C5N=C4)C(=O)N

InChI

InChI=1S/C27H30N6O3S/c1-2-5-16-13-20(32-26-21(16)22(28)24(37-26)27(35)36)33-10-8-18(9-11-33)31-23(25(29)34)17-12-15-6-3-4-7-19(15)30-14-17/h3-4,6-7,12-14,18,23,31H,2,5,8-11,28H2,1H3,(H2,29,34)(H,35,36)