(4,6-dimethoxypyrimidin-2-yl) 6-isothiocyanatopyridine-2-carboperoxoate

Systemtic Name: (4,6-dimethoxypyrimidin-2-yl) 6-isothiocyanatopyridine-2-carboperoxoate Openeye Name: (4,6-dimethoxypyrimidin-2-yl) 6-isothiocyanatopyridine-2-carboperoxoate CAS Name: 6-isothiocyanato-2-pyridinecarboperoxoic acid (4,6-dimethoxy-2-pyrimidinyl) ester IUPAC Name: (4,6-dimethoxypyrimidin-2-yl) 6-isothiocyanatopyridine-2-carboperoxoate Traditional Name: 6-isothiocyanatopyridine-2-carboperoxoic acid (4,6-dimethoxypyrimidin-2-yl) ester Formula: C13H10N4O5S MolecularWeight: 334.3073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OOC(=O)C2=NC(=CC=C2)N=C=S)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OOC(=O)C2=NC(=CC=C2)N=C=S)OC

InChI

InChI=1S/C13H10N4O5S/c1-19-10-6-11(20-2)17-13(16-10)22-21-12(18)8-4-3-5-9(15-8)14-7-23/h3-6H,1-2H3