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

Systemtic Name: 4-oxidanyl-3-phenyl-2-propylsulfanyl-1H-pyrimidin-3-ium-6-one Openeye Name: 4-hydroxy-3-phenyl-2-propylsulfanyl-1H-pyrimidin-3-ium-6-one CAS Name: 4-hydroxy-3-phenyl-2-(propylthio)-1H-pyrimidin-3-ium-6-one IUPAC Name: 4-hydroxy-3-phenyl-2-propylsulfanyl-1H-pyrimidin-3-ium-6-one Traditional Name: 4-hydroxy-3-phenyl-2-(propylthio)-1H-pyrimidin-3-ium-6-one Formula: C13H15N2O2S+ MolecularWeight: 263.3354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2S/c1-2-8-18-13-14-11(16)9-12(17)15(13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,17)/p+1