2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H18N2O3S2 MolecularWeight: 422.51992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C22H18N2O3S2/c1-13(25)15-8-9-18(27-2)16(10-15)11-29-22-23-20(26)19-17(12-28-21(19)24-22)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,23,24,26)