(4,6-dimethoxypyrimidin-2-yl) 6-(propylcarbamothioylamino)pyridine-2-carboperoxoate

Systemtic Name: (4,6-dimethoxypyrimidin-2-yl) 6-(propylcarbamothioylamino)pyridine-2-carboperoxoate Openeye Name: (4,6-dimethoxypyrimidin-2-yl) 6-(propylcarbamothioylamino)pyridine-2-carboperoxoate CAS Name: 6-[[propylamino(sulfanylidene)methyl]amino]-2-pyridinecarboperoxoic acid (4,6-dimethoxy-2-pyrimidinyl) ester IUPAC Name: (4,6-dimethoxypyrimidin-2-yl) 6-(propylcarbamothioylamino)pyridine-2-carboperoxoate Traditional Name: 6-(propylthiocarbamoylamino)pyridine-2-carboperoxoic acid (4,6-dimethoxypyrimidin-2-yl) ester Formula: C16H19N5O5S MolecularWeight: 393.41756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=CC=CC(=N1)C(=O)OOC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CCCNC(=S)NC1=CC=CC(=N1)C(=O)OOC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C16H19N5O5S/c1-4-8-17-16(27)19-11-7-5-6-10(18-11)14(22)25-26-15-20-12(23-2)9-13(21-15)24-3/h5-7,9H,4,8H2,1-3H3,(H2,17,18,19,27)