4-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[4-(4-bromophenyl)-4-hydroxy-piperidino]-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C17H18BrN3O3S MolecularWeight: 424.31212

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)N2CCC(CC2)(C3=CC=C(C=C3)Br)O)C(=O)O

Isomeric SMILES

CSC1=NC=C(C(=N1)N2CCC(CC2)(C3=CC=C(C=C3)Br)O)C(=O)O

InChI

InChI=1S/C17H18BrN3O3S/c1-25-16-19-10-13(15(22)23)14(20-16)21-8-6-17(24,7-9-21)11-2-4-12(18)5-3-11/h2-5,10,24H,6-9H2,1H3,(H,22,23)