2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-fluoranyl-phenyl]-5-methoxy-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-fluoranyl-phenyl]-5-methoxy-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-fluoro-phenyl]-5-methoxy-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylthio]-3-fluorophenyl]-5-methoxy-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-fluorophenyl]-5-methoxy-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(5-bromo-2-methoxy-benzyl)thio]-3-fluoro-phenyl]-5-methoxy-1,4,5,6-tetrahydropyrimidine Formula: C19H20BrFN2O2S MolecularWeight: 439.341703

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Descriptors Computed from Structure

Canonical SMILES:

COC1CNC(=NC1)C2=C(C(=CC=C2)F)SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

COC1CNC(=NC1)C2=C(C(=CC=C2)F)SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C19H20BrFN2O2S/c1-24-14-9-22-19(23-10-14)15-4-3-5-16(21)18(15)26-11-12-8-13(20)6-7-17(12)25-2/h3-8,14H,9-11H2,1-2H3,(H,22,23)