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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(dimethoxymethyl)pyrimidine-5-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(dimethoxymethyl)pyrimidine-5-carboxylic acid CAS Name: 2-[(4-chlorophenyl)methylthio]-4-(dimethoxymethyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(dimethoxymethyl)pyrimidine-5-carboxylic acid Traditional Name: 2-[(4-chlorobenzyl)thio]-4-(dimethoxymethyl)pyrimidine-5-carboxylic acid Formula: C15H15ClN2O4S MolecularWeight: 354.8086

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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)