5-ethyl-4-oxidanyl-3-phenyl-2-propylsulfanyl-1H-pyrimidin-3-ium-6-one

Systemtic Name: 5-ethyl-4-oxidanyl-3-phenyl-2-propylsulfanyl-1H-pyrimidin-3-ium-6-one Openeye Name: 5-ethyl-4-hydroxy-3-phenyl-2-propylsulfanyl-1H-pyrimidin-3-ium-6-one CAS Name: 5-ethyl-4-hydroxy-3-phenyl-2-(propylthio)-1H-pyrimidin-3-ium-6-one IUPAC Name: 5-ethyl-4-hydroxy-3-phenyl-2-propylsulfanyl-1H-pyrimidin-3-ium-6-one Traditional Name: 5-ethyl-4-hydroxy-3-phenyl-2-(propylthio)-1H-pyrimidin-3-ium-6-one Formula: C15H19N2O2S+ MolecularWeight: 291.38856

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=[N+](C(=C(C(=O)N1)CC)O)C2=CC=CC=C2

Isomeric SMILES

CCCSC1=[N+](C(=C(C(=O)N1)CC)O)C2=CC=CC=C2

InChI

InChI=1S/C15H18N2O2S/c1-3-10-20-15-16-13(18)12(4-2)14(19)17(15)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,18,19)/p+1