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

Systemtic Name: 2-[2-[(5-bromanyl-2-methyl-phenyl)methylsulfanyl]-3-fluoranyl-phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(5-bromo-2-methyl-phenyl)methylsulfanyl]-3-fluoro-phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(5-bromo-2-methylphenyl)methylthio]-3-fluorophenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(5-bromo-2-methylphenyl)methylsulfanyl]-3-fluorophenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(5-bromo-2-methyl-benzyl)thio]-3-fluoro-phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C18H18BrFN2S MolecularWeight: 393.316323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)CSC2=C(C=CC=C2F)C3=NCCCN3

Isomeric SMILES

CC1=C(C=C(C=C1)Br)CSC2=C(C=CC=C2F)C3=NCCCN3

InChI

InChI=1S/C18H18BrFN2S/c1-12-6-7-14(19)10-13(12)11-23-17-15(4-2-5-16(17)20)18-21-8-3-9-22-18/h2,4-7,10H,3,8-9,11H2,1H3,(H,21,22)