methyl 2,4-bis(chloranyl)-6-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: methyl 2,4-bis(chloranyl)-6-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: methyl 4-benzylsulfanyl-2,6-dichloro-pyrimidine-5-carboxylate CAS Name: 2,4-dichloro-6-(phenylmethylthio)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-benzylsulfanyl-2,6-dichloropyrimidine-5-carboxylate Traditional Name: 4-(benzylthio)-2,6-dichloro-pyrimidine-5-carboxylic acid methyl ester Formula: C13H10Cl2N2O2S MolecularWeight: 329.2017

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(N=C1Cl)Cl)SCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(N=C(N=C1Cl)Cl)SCC2=CC=CC=C2

InChI

InChI=1S/C13H10Cl2N2O2S/c1-19-12(18)9-10(14)16-13(15)17-11(9)20-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3