3-(2,3-dimethylphenyl)-2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]-5-ethyl-6-methyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(2,3-dimethylphenyl)-2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]-5-ethyl-6-methyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]-3-(2,3-dimethylphenyl)-5-ethyl-6-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(5-acetyl-2-ethoxyphenyl)methylthio]-3-(2,3-dimethylphenyl)-5-ethyl-6-methyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]-3-(2,3-dimethylphenyl)-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(5-acetyl-2-ethoxy-benzyl)thio]-3-(2,3-dimethylphenyl)-5-ethyl-6-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C28H30N2O3S2 MolecularWeight: 506.6794

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C(C=CC(=C3)C(=O)C)OCC)C4=CC=CC(=C4C)C)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C(C=CC(=C3)C(=O)C)OCC)C4=CC=CC(=C4C)C)C

InChI

InChI=1S/C28H30N2O3S2/c1-7-22-19(6)35-26-25(22)27(32)30(23-11-9-10-16(3)17(23)4)28(29-26)34-15-21-14-20(18(5)31)12-13-24(21)33-8-2/h9-14H,7-8,15H2,1-6H3