3-ethyl-2-ethylsulfanyl-4-oxidanyl-1H-pyrimidin-3-ium-6-one

Systemtic Name: 3-ethyl-2-ethylsulfanyl-4-oxidanyl-1H-pyrimidin-3-ium-6-one Openeye Name: 3-ethyl-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-3-ium-6-one CAS Name: 3-ethyl-2-(ethylthio)-4-hydroxy-1H-pyrimidin-3-ium-6-one IUPAC Name: 3-ethyl-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-3-ium-6-one Traditional Name: 3-ethyl-2-(ethylthio)-4-hydroxy-1H-pyrimidin-3-ium-6-one Formula: C8H13N2O2S+ MolecularWeight: 201.26602

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC(=O)C=C1O)SCC

Isomeric SMILES

CC[N+]1=C(NC(=O)C=C1O)SCC

InChI

InChI=1S/C8H12N2O2S/c1-3-10-7(12)5-6(11)9-8(10)13-4-2/h5H,3-4H2,1-2H3,(H,11,12)/p+1