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

Systemtic Name: 3-azanyl-6-[4-(methylcarbamoylamino)piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-(methylcarbamoylamino)-1-piperidyl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-(methylcarbamoylamino)-1-piperidinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-(methylcarbamoylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-(methylcarbamoylamino)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)NC(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O3S/c1-3-4-10-9-12(22-16-13(10)14(19)15(27-16)17(24)25)23-7-5-11(6-8-23)21-18(26)20-2/h9,11H,3-8,19H2,1-2H3,(H,24,25)(H2,20,21,26)