(2R)-2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate

Systemtic Name: (2R)-2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate Openeye Name: (2R)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate CAS Name: (2R)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propanoate IUPAC Name: (2R)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate Traditional Name: (2R)-2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propionate Formula: C12H13N2O3S2- MolecularWeight: 297.37322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CS[C@H](C)C(=O)[O-])C

InChI

InChI=1S/C12H14N2O3S2/c1-5-6(2)19-11-9(5)10(15)13-8(14-11)4-18-7(3)12(16)17/h7H,4H2,1-3H3,(H,16,17)(H,13,14,15)/p-1/t7-/m1/s1