6-(4-oxidanylidene-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-3-yl)hexanoic acid

Systemtic Name: 6-(4-oxidanylidene-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-3-yl)hexanoic acid Openeye Name: 6-(4-oxo-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-3-yl)hexanoic acid CAS Name: 6-[4-oxo-2-(phenacylthio)-3-thieno[3,2-d]pyrimidinyl]hexanoic acid IUPAC Name: 6-(4-oxo-2-phenacylsulfanylthieno[3,2-d]pyrimidin-3-yl)hexanoic acid Traditional Name: 6-[4-keto-2-(phenacylthio)thieno[3,2-d]pyrimidin-3-yl]hexanoic acid Formula: C20H20N2O4S2 MolecularWeight: 416.5138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=O)N2CCCCCC(=O)O)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=O)N2CCCCCC(=O)O)SC=C3

InChI

InChI=1S/C20H20N2O4S2/c23-16(14-7-3-1-4-8-14)13-28-20-21-15-10-12-27-18(15)19(26)22(20)11-6-2-5-9-17(24)25/h1,3-4,7-8,10,12H,2,5-6,9,11,13H2,(H,24,25)