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

Systemtic Name: 2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-fluoranyl-phenyl]-5-methyl-1,3-diazinane Openeye Name: 2-[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-fluoro-phenyl]-5-methyl-hexahydropyrimidine CAS Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylthio]-3-fluorophenyl]-5-methyl-1,3-diazinane IUPAC Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-fluorophenyl]-5-methyl-1,3-diazinane Traditional Name: 2-[2-[(5-bromo-2-methoxy-benzyl)thio]-3-fluoro-phenyl]-5-methyl-hexahydropyrimidine Formula: C19H22BrFN2OS MolecularWeight: 425.358183

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(NC1)C2=C(C(=CC=C2)F)SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1CNC(NC1)C2=C(C(=CC=C2)F)SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C19H22BrFN2OS/c1-12-9-22-19(23-10-12)15-4-3-5-16(21)18(15)25-11-13-8-14(20)6-7-17(13)24-2/h3-8,12,19,22-23H,9-11H2,1-2H3