3-[(2R)-butan-2-yl]-5-ethyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 3-[(2R)-butan-2-yl]-5-ethyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 5-ethyl-3-[(1R)-1-methylpropyl]-2-methylsulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 3-[(2R)-butan-2-yl]-5-ethyl-2-(methylthio)-6-oxo-4-pyrimidinolate IUPAC Name: 3-[(2R)-butan-2-yl]-5-ethyl-2-methylsulfanyl-6-oxopyrimidin-4-olate Traditional Name: 5-ethyl-6-keto-3-[(1R)-1-methylpropyl]-2-(methylthio)pyrimidin-4-olate Formula: C11H17N2O2S- MolecularWeight: 241.32988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SC)C(C)CC)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SC)[C@H](C)CC)[O-]

InChI

InChI=1S/C11H18N2O2S/c1-5-7(3)13-10(15)8(6-2)9(14)12-11(13)16-4/h7,15H,5-6H2,1-4H3/p-1/t7-/m1/s1