5,6-dimethyl-2-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(5-hydroxy-4-oxo-pyran-2-yl)methylsulfanyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(5-hydroxy-4-oxo-2-pyranyl)methylthio]-5,6-dimethyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(5-hydroxy-4-oxopyran-2-yl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(5-hydroxy-4-keto-pyran-2-yl)methylthio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=O)C(=CO3)O)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=O)C(=CO3)O)CC=C)C

InChI

InChI=1S/C17H16N2O4S2/c1-4-5-19-16(22)14-9(2)10(3)25-15(14)18-17(19)24-8-11-6-12(20)13(21)7-23-11/h4,6-7,21H,1,5,8H2,2-3H3