5-chloranyl-2-[2-(dimethylazaniumyl)ethylsulfanyl]pyrimidine-4-carboxylate

Systemtic Name: 5-chloranyl-2-[2-(dimethylazaniumyl)ethylsulfanyl]pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-[2-(dimethylammonio)ethylsulfanyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[2-(dimethylammonio)ethylthio]-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-[2-(dimethylazaniumyl)ethylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[2-(dimethylammonio)ethylthio]pyrimidine-4-carboxylate Formula: C9H12ClN3O2S MolecularWeight: 261.72848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12ClN3O2S/c1-13(2)3-4-16-9-11-5-6(10)7(12-9)8(14)15/h5H,3-4H2,1-2H3,(H,14,15)