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

Systemtic Name: methyl 2-[[1-(2-azanyl-6-methyl-pyrimidin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C10H12N6O2S MolecularWeight: 280.30628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)N2C=NC(=N2)SCC(=O)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N)N2C=NC(=N2)SCC(=O)OC

InChI

InChI=1S/C10H12N6O2S/c1-6-3-7(14-9(11)13-6)16-5-12-10(15-16)19-4-8(17)18-2/h3,5H,4H2,1-2H3,(H2,11,13,14)