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

Systemtic Name: 3-[(2R)-butan-2-yl]-5-ethyl-6-oxidanylidene-2-prop-2-enylsulfanyl-pyrimidin-4-olate Openeye Name: 2-allylsulfanyl-5-ethyl-3-[(1R)-1-methylpropyl]-6-oxo-pyrimidin-4-olate CAS Name: 3-[(2R)-butan-2-yl]-5-ethyl-6-oxo-2-(prop-2-enylthio)-4-pyrimidinolate IUPAC Name: 3-[(2R)-butan-2-yl]-5-ethyl-6-oxo-2-prop-2-enylsulfanylpyrimidin-4-olate Traditional Name: 2-(allylthio)-5-ethyl-6-keto-3-[(1R)-1-methylpropyl]pyrimidin-4-olate Formula: C13H19N2O2S- MolecularWeight: 267.36716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S/c1-5-8-18-13-14-11(16)10(7-3)12(17)15(13)9(4)6-2/h5,9,17H,1,6-8H2,2-4H3/p-1/t9-/m1/s1