[2-[5-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]pentoxy]phenyl] 2,2-dimethylhexaneperoxoate

Systemtic Name: [2-[5-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]pentoxy]phenyl] 2,2-dimethylhexaneperoxoate Openeye Name: [2-[5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pentoxy]phenyl] 2,2-dimethylhexaneperoxoate CAS Name: 2,2-dimethylhexaneperoxoic acid [2-[5-[(6-oxo-1H-pyrimidin-2-yl)thio]pentoxy]phenyl] ester IUPAC Name: [2-[5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pentoxy]phenyl] 2,2-dimethylhexaneperoxoate Traditional Name: 2,2-dimethylhexaneperoxoic acid [2-[5-[(6-keto-1H-pyrimidin-2-yl)thio]pentoxy]phenyl] ester Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(=O)OOC1=CC=CC=C1OCCCCCSC2=NC=CC(=O)N2

Isomeric SMILES

CCCCC(C)(C)C(=O)OOC1=CC=CC=C1OCCCCCSC2=NC=CC(=O)N2

InChI

InChI=1S/C23H32N2O5S/c1-4-5-14-23(2,3)21(27)30-29-19-12-8-7-11-18(19)28-16-9-6-10-17-31-22-24-15-13-20(26)25-22/h7-8,11-13,15H,4-6,9-10,14,16-17H2,1-3H3,(H,24,25,26)