6-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(pyridin-3-ylmethyl)hexanamide

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(pyridin-3-ylmethyl)hexanamide Openeye Name: 6-(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-pyridylmethyl)hexanamide CAS Name: 6-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-pyridinylmethyl)hexanamide IUPAC Name: 6-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(pyridin-3-ylmethyl)hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-pyridylmethyl)hexanamide Formula: C18H20N4O2S2 MolecularWeight: 388.507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)CCCCCN2C(=O)C3=C(C=CS3)NC2=S

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)CCCCCN2C(=O)C3=C(C=CS3)NC2=S

InChI

InChI=1S/C18H20N4O2S2/c23-15(20-12-13-5-4-8-19-11-13)6-2-1-3-9-22-17(24)16-14(7-10-26-16)21-18(22)25/h4-5,7-8,10-11H,1-3,6,9,12H2,(H,20,23)(H,21,25)