3-ethyl-2-ethylsulfanyl-6-oxidanylidene-5-[(2S)-pentan-2-yl]pyrimidin-4-olate

Systemtic Name: 3-ethyl-2-ethylsulfanyl-6-oxidanylidene-5-[(2S)-pentan-2-yl]pyrimidin-4-olate Openeye Name: 3-ethyl-2-ethylsulfanyl-5-[(1S)-1-methylbutyl]-6-oxo-pyrimidin-4-olate CAS Name: 3-ethyl-2-(ethylthio)-6-oxo-5-[(2S)-pentan-2-yl]-4-pyrimidinolate IUPAC Name: 3-ethyl-2-ethylsulfanyl-6-oxo-5-[(2S)-pentan-2-yl]pyrimidin-4-olate Traditional Name: 3-ethyl-2-(ethylthio)-6-keto-5-[(1S)-1-methylbutyl]pyrimidin-4-olate Formula: C13H21N2O2S- MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=C(N(C(=NC1=O)SCC)CC)[O-]

Isomeric SMILES

CCC[C@H](C)C1=C(N(C(=NC1=O)SCC)CC)[O-]

InChI

InChI=1S/C13H22N2O2S/c1-5-8-9(4)10-11(16)14-13(18-7-3)15(6-2)12(10)17/h9,17H,5-8H2,1-4H3/p-1/t9-/m0/s1