dimethyl-[2-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]azanium

Systemtic Name: dimethyl-[2-[(4-oxidanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]azanium Openeye Name: 2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dimethyl-ammonium CAS Name: 2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)thio]ethyl-dimethylammonium IUPAC Name: 2-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethyl-dimethylazanium Traditional Name: 2-[(4-hydroxy-6-keto-5-phenyl-1H-pyrimidin-2-yl)thio]ethyl-dimethyl-ammonium Formula: C14H18N3O2S+ MolecularWeight: 292.37662

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSC1=NC(=C(C(=O)N1)C2=CC=CC=C2)O

Isomeric SMILES

C[NH+](C)CCSC1=NC(=C(C(=O)N1)C2=CC=CC=C2)O

InChI

InChI=1S/C14H17N3O2S/c1-17(2)8-9-20-14-15-12(18)11(13(19)16-14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,15,16,18,19)/p+1