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

Systemtic Name: 2-[2-[(5-bromanyl-2-methoxy-phenyl)sulfanylmethyl]-3-fluoranyl-phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(5-bromo-2-methoxy-phenyl)sulfanylmethyl]-3-fluoro-phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[[(5-bromo-2-methoxyphenyl)thio]methyl]-3-fluorophenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]-3-fluorophenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[[(5-bromo-2-methoxy-phenyl)thio]methyl]-3-fluoro-phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C18H18BrFN2OS MolecularWeight: 409.315723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)SCC2=C(C=CC=C2F)C3=NCCCN3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)SCC2=C(C=CC=C2F)C3=NCCCN3

InChI

InChI=1S/C18H18BrFN2OS/c1-23-16-7-6-12(19)10-17(16)24-11-14-13(4-2-5-15(14)20)18-21-8-3-9-22-18/h2,4-7,10H,3,8-9,11H2,1H3,(H,21,22)