methyl 2-[[5-azanyl-3-(4,6-dimethoxypyrimidin-2-yl)-2H-1,2,3-triazol-1-yl]sulfonyl]benzoate

Systemtic Name: methyl 2-[[5-azanyl-3-(4,6-dimethoxypyrimidin-2-yl)-2H-1,2,3-triazol-1-yl]sulfonyl]benzoate Openeye Name: methyl 2-[[5-amino-3-(4,6-dimethoxypyrimidin-2-yl)-2H-triazol-1-yl]sulfonyl]benzoate CAS Name: 2-[[5-amino-3-(4,6-dimethoxy-2-pyrimidinyl)-2H-triazol-1-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-amino-3-(4,6-dimethoxypyrimidin-2-yl)-2H-triazol-1-yl]sulfonyl]benzoate Traditional Name: 2-[[5-amino-3-(4,6-dimethoxypyrimidin-2-yl)-2H-triazol-1-yl]sulfonyl]benzoic acid methyl ester Formula: C16H18N6O6S MolecularWeight: 422.41572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)N2C=C(N(N2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)N)OC

Isomeric SMILES

COC1=CC(=NC(=N1)N2C=C(N(N2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)N)OC

InChI

InChI=1S/C16H18N6O6S/c1-26-13-8-14(27-2)19-16(18-13)21-9-12(17)22(20-21)29(24,25)11-7-5-4-6-10(11)15(23)28-3/h4-9,20H,17H2,1-3H3