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

Systemtic Name: 2-(4-bromophenyl)-4-methyl-6-prop-2-enylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-allylsulfanyl-2-(4-bromophenyl)-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-(4-bromophenyl)-4-methyl-6-(prop-2-enylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-bromophenyl)-4-methyl-6-prop-2-enylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-(allylthio)-2-(4-bromophenyl)-6-methyl-pyrimidine-5-carboxylic acid Formula: C15H13BrN2O2S MolecularWeight: 365.24492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Br)SCC=C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Br)SCC=C)C(=O)O

InChI

InChI=1S/C15H13BrN2O2S/c1-3-8-21-14-12(15(19)20)9(2)17-13(18-14)10-4-6-11(16)7-5-10/h3-7H,1,8H2,2H3,(H,19,20)