ethyl 2-[[1-(2-azanyl-6-methyl-pyrimidin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[1-(2-azanyl-6-methyl-pyrimidin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[1-(2-amino-6-methyl-pyrimidin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[1-(2-amino-6-methyl-4-pyrimidinyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[1-(2-amino-6-methylpyrimidin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[1-(2-amino-6-methyl-pyrimidin-4-yl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C11H14N6O2S MolecularWeight: 294.33286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN(C=N1)C2=NC(=NC(=C2)C)N

Isomeric SMILES

CCOC(=O)CSC1=NN(C=N1)C2=NC(=NC(=C2)C)N

InChI

InChI=1S/C11H14N6O2S/c1-3-19-9(18)5-20-11-13-6-17(16-11)8-4-7(2)14-10(12)15-8/h4,6H,3,5H2,1-2H3,(H2,12,14,15)