N-(2-ethylhexyl)-3-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide

Systemtic Name: N-(2-ethylhexyl)-3-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide Openeye Name: N-(2-ethylhexyl)-3-(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide CAS Name: N-(2-ethylhexyl)-3-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide IUPAC Name: N-(2-ethylhexyl)-3-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide Traditional Name: N-(2-ethylhexyl)-3-(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propionamide Formula: C17H25N3O2S2 MolecularWeight: 367.5293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)CCN1C(=O)C2=C(C=CS2)NC1=S

Isomeric SMILES

CCCCC(CC)CNC(=O)CCN1C(=O)C2=C(C=CS2)NC1=S

InChI

InChI=1S/C17H25N3O2S2/c1-3-5-6-12(4-2)11-18-14(21)7-9-20-16(22)15-13(8-10-24-15)19-17(20)23/h8,10,12H,3-7,9,11H2,1-2H3,(H,18,21)(H,19,23)