6-methyl-2-[2-(2-propanoylphenoxy)ethylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[2-(2-propanoylphenoxy)ethylsulfanyl]pyrimidin-4-olate Openeye Name: 6-methyl-2-[2-(2-propanoylphenoxy)ethylsulfanyl]pyrimidin-4-olate CAS Name: 6-methyl-2-[2-[2-(1-oxopropyl)phenoxy]ethylthio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-(2-propanoylphenoxy)ethylsulfanyl]pyrimidin-4-olate Traditional Name: 6-methyl-2-[2-(2-propionylphenoxy)ethylthio]pyrimidin-4-olate Formula: C16H17N2O3S- MolecularWeight: 317.38278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1OCCSC2=NC(=CC(=N2)[O-])C

Isomeric SMILES

CCC(=O)C1=CC=CC=C1OCCSC2=NC(=CC(=N2)[O-])C

InChI

InChI=1S/C16H18N2O3S/c1-3-13(19)12-6-4-5-7-14(12)21-8-9-22-16-17-11(2)10-15(20)18-16/h4-7,10H,3,8-9H2,1-2H3,(H,17,18,20)/p-1