2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-allyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-5,6-dimethyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-allyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C(C=CC(=C3)C(=O)C)OC)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C(C=CC(=C3)C(=O)C)OC)CC=C)C

InChI

InChI=1S/C21H22N2O3S2/c1-6-9-23-20(25)18-12(2)14(4)28-19(18)22-21(23)27-11-16-10-15(13(3)24)7-8-17(16)26-5/h6-8,10H,1,9,11H2,2-5H3