1-[4-(5-ethynylperoxypyrimidin-2-yl)phenyl]but-3-yn-2-ol

Systemtic Name: 1-[4-(5-ethynylperoxypyrimidin-2-yl)phenyl]but-3-yn-2-ol Openeye Name: 1-[4-(5-ethynylperoxypyrimidin-2-yl)phenyl]but-3-yn-2-ol CAS Name: 1-[4-(5-ethynyldioxy-2-pyrimidinyl)phenyl]-3-butyn-2-ol IUPAC Name: 1-[4-(5-ethynylperoxypyrimidin-2-yl)phenyl]but-3-yn-2-ol Traditional Name: 1-[4-(5-ethynylperoxypyrimidin-2-yl)phenyl]but-3-yn-2-ol Formula: C16H12N2O3 MolecularWeight: 280.27808

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC1=CC=C(C=C1)C2=NC=C(C=N2)OOC#C)O

Isomeric SMILES

C#CC(CC1=CC=C(C=C1)C2=NC=C(C=N2)OOC#C)O

InChI

InChI=1S/C16H12N2O3/c1-3-14(19)9-12-5-7-13(8-6-12)16-17-10-15(11-18-16)21-20-4-2/h1-2,5-8,10-11,14,19H,9H2