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

Systemtic Name: 2-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]methyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(5-bromo-2-methoxy-benzyl)thio]benzyl]-1,4,5,6-tetrahydropyrimidine Formula: C19H21BrN2OS MolecularWeight: 405.35184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2CC3=NCCCN3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2CC3=NCCCN3

InChI

InChI=1S/C19H21BrN2OS/c1-23-17-8-7-16(20)11-15(17)13-24-18-6-3-2-5-14(18)12-19-21-9-4-10-22-19/h2-3,5-8,11H,4,9-10,12-13H2,1H3,(H,21,22)