methyl 1-[4-azanyl-6-(2-hydroxyethylsulfanyl)-1,3,5-triazin-2-yl]pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 1-[4-azanyl-6-(2-hydroxyethylsulfanyl)-1,3,5-triazin-2-yl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-[4-amino-6-(2-hydroxyethylsulfanyl)-1,3,5-triazin-2-yl]pyridin-1-ium-3-carboxylate CAS Name: 1-[4-amino-6-(2-hydroxyethylthio)-1,3,5-triazin-2-yl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[4-amino-6-(2-hydroxyethylsulfanyl)-1,3,5-triazin-2-yl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[4-amino-6-(2-hydroxyethylthio)-s-triazin-2-yl]pyridin-1-ium-3-carboxylic acid methyl ester Formula: C12H14N5O3S+ MolecularWeight: 308.33626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[N+](=CC=C1)C2=NC(=NC(=N2)SCCO)N

Isomeric SMILES

COC(=O)C1=C[N+](=CC=C1)C2=NC(=NC(=N2)SCCO)N

InChI

InChI=1S/C12H14N5O3S/c1-20-9(19)8-3-2-4-17(7-8)11-14-10(13)15-12(16-11)21-6-5-18/h2-4,7,18H,5-6H2,1H3,(H2,13,14,15,16)/q+1