5-bromanyl-N-(2-ethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-(2-ethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-(2-ethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide CAS Name: 5-bromo-N-(2-ethoxyphenyl)-2-[(2-fluorophenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-N-(2-ethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-bromo-2-[(2-fluorobenzyl)thio]-N-o-phenetyl-pyrimidine-4-carboxamide Formula: C20H17BrFN3O2S MolecularWeight: 462.335283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=NC(=NC=C2Br)SCC3=CC=CC=C3F

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=NC(=NC=C2Br)SCC3=CC=CC=C3F

InChI

InChI=1S/C20H17BrFN3O2S/c1-2-27-17-10-6-5-9-16(17)24-19(26)18-14(21)11-23-20(25-18)28-12-13-7-3-4-8-15(13)22/h3-11H,2,12H2,1H3,(H,24,26)