3-azanyl-6-(1H-indol-3-ylmethylamino)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-6-(1H-indol-3-ylmethylamino)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-(1H-indol-3-ylmethylamino)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-(1H-indol-3-ylmethylamino)-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-(1H-indol-3-ylmethylamino)-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-(1H-indol-3-ylmethylamino)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)NCC3=CNC4=CC=CC=C43

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)NCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H20N4O2S/c1-2-5-11-8-15(24-19-16(11)17(21)18(27-19)20(25)26)23-10-12-9-22-14-7-4-3-6-13(12)14/h3-4,6-9,22H,2,5,10,21H2,1H3,(H,23,24)(H,25,26)