(4,6-dimethoxypyrimidin-2-yl) 2-[3-(dimethylamino)prop-1-ynyl]benzenecarboperoxoate

Systemtic Name: (4,6-dimethoxypyrimidin-2-yl) 2-[3-(dimethylamino)prop-1-ynyl]benzenecarboperoxoate Openeye Name: (4,6-dimethoxypyrimidin-2-yl) 2-[3-(dimethylamino)prop-1-ynyl]benzenecarboperoxoate CAS Name: 2-[3-(dimethylamino)prop-1-ynyl]benzenecarboperoxoic acid (4,6-dimethoxy-2-pyrimidinyl) ester IUPAC Name: (4,6-dimethoxypyrimidin-2-yl) 2-[3-(dimethylamino)prop-1-ynyl]benzenecarboperoxoate Traditional Name: 2-[3-(dimethylamino)prop-1-ynyl]benzenecarboperoxoic acid (4,6-dimethoxypyrimidin-2-yl) ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CC1=CC=CC=C1C(=O)OOC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CN(C)CC#CC1=CC=CC=C1C(=O)OOC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C18H19N3O5/c1-21(2)11-7-9-13-8-5-6-10-14(13)17(22)25-26-18-19-15(23-3)12-16(20-18)24-4/h5-6,8,10,12H,11H2,1-4H3