2-ethyl-4-methyl-6-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: 2-ethyl-4-methyl-6-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 2-ethyl-4-methyl-6-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-ethyl-4-methyl-6-(phenethylthio)-5-pyrimidinecarboxylate IUPAC Name: 2-ethyl-4-methyl-6-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-ethyl-4-methyl-6-(phenethylthio)pyrimidine-5-carboxylate Formula: C16H17N2O2S- MolecularWeight: 301.38338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCCC2=CC=CC=C2)C(=O)[O-])C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCCC2=CC=CC=C2)C(=O)[O-])C

InChI

InChI=1S/C16H18N2O2S/c1-3-13-17-11(2)14(16(19)20)15(18-13)21-10-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,19,20)/p-1