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

Systemtic Name: 2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-fluoranyl-4-methyl-phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-fluoro-4-methyl-phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylthio]-3-fluoro-4-methylphenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-fluoro-4-methylphenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(5-bromo-2-methoxy-benzyl)thio]-3-fluoro-4-methyl-phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C19H20BrFN2OS MolecularWeight: 423.342303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C2=NCCCN2)SCC3=C(C=CC(=C3)Br)OC)F

Isomeric SMILES

CC1=C(C(=C(C=C1)C2=NCCCN2)SCC3=C(C=CC(=C3)Br)OC)F

InChI

InChI=1S/C19H20BrFN2OS/c1-12-4-6-15(19-22-8-3-9-23-19)18(17(12)21)25-11-13-10-14(20)5-7-16(13)24-2/h4-7,10H,3,8-9,11H2,1-2H3,(H,22,23)