[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C13H16N6O2S MolecularWeight: 320.37014

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C13H16N6O2S/c1-19(2)13-17-9(16-12(14)18-13)7-21-11(20)8-5-4-6-15-10(8)22-3/h4-6H,7H2,1-3H3,(H2,14,16,17,18)