2-(4-bromophenyl)-4-(2-hydroxyethylsulfanyl)-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: 2-(4-bromophenyl)-4-(2-hydroxyethylsulfanyl)-6-methyl-pyrimidine-5-carboxylate Openeye Name: 2-(4-bromophenyl)-4-(2-hydroxyethylsulfanyl)-6-methyl-pyrimidine-5-carboxylate CAS Name: 2-(4-bromophenyl)-4-(2-hydroxyethylthio)-6-methyl-5-pyrimidinecarboxylate IUPAC Name: 2-(4-bromophenyl)-4-(2-hydroxyethylsulfanyl)-6-methylpyrimidine-5-carboxylate Traditional Name: 2-(4-bromophenyl)-4-(2-hydroxyethylthio)-6-methyl-pyrimidine-5-carboxylate Formula: C14H12BrN2O3S- MolecularWeight: 368.22568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Br)SCCO)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Br)SCCO)C(=O)[O-]

InChI

InChI=1S/C14H13BrN2O3S/c1-8-11(14(19)20)13(21-7-6-18)17-12(16-8)9-2-4-10(15)5-3-9/h2-5,18H,6-7H2,1H3,(H,19,20)/p-1