2-[(4-chlorophenyl)methylsulfanyl]-4-(dimethoxymethyl)pyrimidine-5-carboxylate

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(dimethoxymethyl)pyrimidine-5-carboxylate Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(dimethoxymethyl)pyrimidine-5-carboxylate CAS Name: 2-[(4-chlorophenyl)methylthio]-4-(dimethoxymethyl)-5-pyrimidinecarboxylate IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(dimethoxymethyl)pyrimidine-5-carboxylate Traditional Name: 2-[(4-chlorobenzyl)thio]-4-(dimethoxymethyl)pyrimidine-5-carboxylate Formula: C15H14ClN2O4S- MolecularWeight: 353.80066

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=NC(=NC=C1C(=O)[O-])SCC2=CC=C(C=C2)Cl)OC

Isomeric SMILES

COC(C1=NC(=NC=C1C(=O)[O-])SCC2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C15H15ClN2O4S/c1-21-14(22-2)12-11(13(19)20)7-17-15(18-12)23-8-9-3-5-10(16)6-4-9/h3-7,14H,8H2,1-2H3,(H,19,20)/p-1