2-[(2-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-olate

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-olate Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-olate CAS Name: 2-[(2-chlorophenyl)methylthio]-6-(methoxymethyl)-4-pyrimidinolate IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidin-4-olate Traditional Name: 2-[(2-chlorobenzyl)thio]-6-(methoxymethyl)pyrimidin-4-olate Formula: C13H12ClN2O2S- MolecularWeight: 295.76458

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=NC(=N1)SCC2=CC=CC=C2Cl)[O-]

Isomeric SMILES

COCC1=CC(=NC(=N1)SCC2=CC=CC=C2Cl)[O-]

InChI

InChI=1S/C13H13ClN2O2S/c1-18-7-10-6-12(17)16-13(15-10)19-8-9-4-2-3-5-11(9)14/h2-6H,7-8H2,1H3,(H,15,16,17)/p-1