2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-fluoranyl-phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylic acid

Systemtic Name: 2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-fluoranyl-phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylic acid Openeye Name: 2-[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-fluoro-phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylic acid CAS Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylthio]-3-fluorophenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylic acid IUPAC Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-fluorophenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylic acid Traditional Name: 2-[2-[(5-bromo-2-methoxy-benzyl)thio]-3-fluoro-phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylic acid Formula: C19H18BrFN2O3S MolecularWeight: 453.325223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=C(C=CC=C2F)C3=NCCCN3C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=C(C=CC=C2F)C3=NCCCN3C(=O)O

InChI

InChI=1S/C19H18BrFN2O3S/c1-26-16-7-6-13(20)10-12(16)11-27-17-14(4-2-5-15(17)21)18-22-8-3-9-23(18)19(24)25/h2,4-7,10H,3,8-9,11H2,1H3,(H,24,25)