(4,6-dimethoxypyrimidin-2-yl) 2-pent-1-ynylbenzenecarboperoxoate

Systemtic Name: (4,6-dimethoxypyrimidin-2-yl) 2-pent-1-ynylbenzenecarboperoxoate Openeye Name: (4,6-dimethoxypyrimidin-2-yl) 2-pent-1-ynylbenzenecarboperoxoate CAS Name: 2-pent-1-ynylbenzenecarboperoxoic acid (4,6-dimethoxy-2-pyrimidinyl) ester IUPAC Name: (4,6-dimethoxypyrimidin-2-yl) 2-pent-1-ynylbenzenecarboperoxoate Traditional Name: 2-pent-1-ynylbenzenecarboperoxoic acid (4,6-dimethoxypyrimidin-2-yl) ester Formula: C18H18N2O5 MolecularWeight: 342.34592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-4-5-6-9-13-10-7-8-11-14(13)17(21)24-25-18-19-15(22-2)12-16(20-18)23-3/h7-8,10-12H,4-5H2,1-3H3