2,4-dimethyl-6-phenethylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2,4-dimethyl-6-phenethylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2,4-dimethyl-6-phenethylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethyl-6-(phenethylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethyl-6-phenethylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 2,4-dimethyl-6-(phenethylthio)pyrimidine-5-carboxylic acid Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H16N2O2S/c1-10-13(15(18)19)14(17-11(2)16-10)20-9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,18,19)