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

Systemtic Name: 3-azanyl-6-[4-[(2-oxidanyl-2-pyrazin-2-yl-ethyl)amino]piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-[(2-hydroxy-2-pyrazin-2-yl-ethyl)amino]-1-piperidyl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[[2-hydroxy-2-(2-pyrazinyl)ethyl]amino]-1-piperidinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(2-hydroxy-2-pyrazin-2-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-[(2-hydroxy-2-pyrazin-2-yl-ethyl)amino]piperidino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C22H28N6O3S MolecularWeight: 456.56112

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(C4=NC=CN=C4)O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(C4=NC=CN=C4)O

InChI

InChI=1S/C22H28N6O3S/c1-2-3-13-10-17(27-21-18(13)19(23)20(32-21)22(30)31)28-8-4-14(5-9-28)26-12-16(29)15-11-24-6-7-25-15/h6-7,10-11,14,16,26,29H,2-5,8-9,12,23H2,1H3,(H,30,31)