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

Systemtic Name: methyl 2-chloranyl-4,6-bis(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: methyl 4,6-bis(benzylsulfanyl)-2-chloro-pyrimidine-5-carboxylate CAS Name: 2-chloro-4,6-bis(phenylmethylthio)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4,6-bis(benzylsulfanyl)-2-chloropyrimidine-5-carboxylate Traditional Name: 4,6-bis(benzylthio)-2-chloro-pyrimidine-5-carboxylic acid methyl ester Formula: C20H17ClN2O2S2 MolecularWeight: 416.94418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(N=C1SCC2=CC=CC=C2)Cl)SCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(N=C(N=C1SCC2=CC=CC=C2)Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C20H17ClN2O2S2/c1-25-19(24)16-17(26-12-14-8-4-2-5-9-14)22-20(21)23-18(16)27-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3