2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-3-allyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-3-allyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC3=C(C=CS3)C(=O)N2CC=C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC3=C(C=CS3)C(=O)N2CC=C)C

InChI

InChI=1S/C21H22N2O2S2/c1-6-8-23-20(25)16-7-9-26-19(16)22-21(23)27-11-17-12(2)10-13(3)18(14(17)4)15(5)24/h6-7,9-10H,1,8,11H2,2-5H3