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

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-2-fluoranyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline Traditional Name: [3-[(5-bromo-2-methoxy-benzyl)thio]-2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]amine Formula: C18H19BrFN3OS MolecularWeight: 424.330363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=C(C=CC(=C2F)N)C3=NCCCN3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=C(C=CC(=C2F)N)C3=NCCCN3

InChI

InChI=1S/C18H19BrFN3OS/c1-24-15-6-3-12(19)9-11(15)10-25-17-13(4-5-14(21)16(17)20)18-22-7-2-8-23-18/h3-6,9H,2,7-8,10,21H2,1H3,(H,22,23)