2-[2-(dimethylazaniumyl)ethylsulfanyl]-5-phenyl-pyrimidine-4,6-diolate

Systemtic Name: 2-[2-(dimethylazaniumyl)ethylsulfanyl]-5-phenyl-pyrimidine-4,6-diolate Openeye Name: 2-[2-(dimethylammonio)ethylsulfanyl]-5-phenyl-pyrimidine-4,6-diolate CAS Name: 2-[2-(dimethylammonio)ethylthio]-5-phenylpyrimidine-4,6-diolate IUPAC Name: 2-[2-(dimethylazaniumyl)ethylsulfanyl]-5-phenylpyrimidine-4,6-diolate Traditional Name: 2-[2-(dimethylammonio)ethylthio]-5-phenyl-pyrimidine-4,6-diolate Formula: C14H16N3O2S- MolecularWeight: 290.36074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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