4-[(4-chlorophenyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: 4-[(4-chlorophenyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[(4-chlorophenyl)methylthio]-2,6-dimethyl-5-pyrimidinecarboxylate IUPAC Name: 4-[(4-chlorophenyl)methylsulfanyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-[(4-chlorobenzyl)thio]-2,6-dimethyl-pyrimidine-5-carboxylate Formula: C14H12ClN2O2S- MolecularWeight: 307.77528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=CC=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=CC=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C14H13ClN2O2S/c1-8-12(14(18)19)13(17-9(2)16-8)20-7-10-3-5-11(15)6-4-10/h3-6H,7H2,1-2H3,(H,18,19)/p-1