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

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)quinoline Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)quinoline CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)quinoline IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)quinoline Traditional Name: 3-[(5-bromo-2-methoxy-benzyl)thio]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)quinoline Formula: C21H20BrN3OS MolecularWeight: 442.372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=CC3=CC=CC=C3N=C2C4=NCCCN4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=CC3=CC=CC=C3N=C2C4=NCCCN4

InChI

InChI=1S/C21H20BrN3OS/c1-26-18-8-7-16(22)11-15(18)13-27-19-12-14-5-2-3-6-17(14)25-20(19)21-23-9-4-10-24-21/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H,23,24)