2-ethylsulfanyl-1,5-dimethyl-6-oxidanyl-3-phenyl-pyrimidin-1-ium-4-one

Systemtic Name: 2-ethylsulfanyl-1,5-dimethyl-6-oxidanyl-3-phenyl-pyrimidin-1-ium-4-one Openeye Name: 2-ethylsulfanyl-6-hydroxy-1,5-dimethyl-3-phenyl-pyrimidin-1-ium-4-one CAS Name: 2-(ethylthio)-6-hydroxy-1,5-dimethyl-3-phenyl-4-pyrimidin-1-iumone IUPAC Name: 2-ethylsulfanyl-6-hydroxy-1,5-dimethyl-3-phenylpyrimidin-1-ium-4-one Traditional Name: 2-(ethylthio)-6-hydroxy-1,5-dimethyl-3-phenyl-pyrimidin-1-ium-4-one Formula: C14H17N2O2S+ MolecularWeight: 277.36198

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=[N+](C(=C(C(=O)N1C2=CC=CC=C2)C)O)C

Isomeric SMILES

CCSC1=[N+](C(=C(C(=O)N1C2=CC=CC=C2)C)O)C

InChI

InChI=1S/C14H16N2O2S/c1-4-19-14-15(3)12(17)10(2)13(18)16(14)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3/p+1