(2R)-2-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoate

Systemtic Name: (2R)-2-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoate Openeye Name: (2R)-2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate CAS Name: (2R)-2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]butanoate IUPAC Name: (2R)-2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate Traditional Name: (2R)-2-[(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)thio]butyrate Formula: C10H13N2O3S- MolecularWeight: 241.28682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC(=O)C(=C(N1)C)C

Isomeric SMILES

CC[C@H](C(=O)[O-])SC1=NC(=O)C(=C(N1)C)C

InChI

InChI=1S/C10H14N2O3S/c1-4-7(9(14)15)16-10-11-6(3)5(2)8(13)12-10/h7H,4H2,1-3H3,(H,14,15)(H,11,12,13)/p-1/t7-/m1/s1