2-(4-bromophenyl)-4-methyl-6-(3-methylbutylsulfanyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-(4-bromophenyl)-4-methyl-6-(3-methylbutylsulfanyl)pyrimidine-5-carboxylic acid Openeye Name: 2-(4-bromophenyl)-4-isopentylsulfanyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-(4-bromophenyl)-4-methyl-6-(3-methylbutylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-bromophenyl)-4-methyl-6-(3-methylbutylsulfanyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(4-bromophenyl)-4-(isoamylthio)-6-methyl-pyrimidine-5-carboxylic acid Formula: C17H19BrN2O2S MolecularWeight: 395.31396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O2S/c1-10(2)8-9-23-16-14(17(21)22)11(3)19-15(20-16)12-4-6-13(18)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,21,22)