2-(4-bromophenyl)-4-ethylsulfanyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-(4-bromophenyl)-4-ethylsulfanyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(4-bromophenyl)-4-ethylsulfanyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-(4-bromophenyl)-4-(ethylthio)-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-bromophenyl)-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-(4-bromophenyl)-4-(ethylthio)-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H13BrN2O2S MolecularWeight: 353.23422

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=NC(=C1C(=O)O)C)C2=CC=C(C=C2)Br

Isomeric SMILES

CCSC1=NC(=NC(=C1C(=O)O)C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H13BrN2O2S/c1-3-20-13-11(14(18)19)8(2)16-12(17-13)9-4-6-10(15)7-5-9/h4-7H,3H2,1-2H3,(H,18,19)