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

Systemtic Name: 2-[2-[(3-bromanyl-2,6-dimethoxy-phenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(3-bromo-2,6-dimethoxy-phenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(3-bromo-2,6-dimethoxyphenyl)methylthio]phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(3-bromo-2,6-dimethoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(3-bromo-2,6-dimethoxy-benzyl)thio]phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C19H21BrN2O2S MolecularWeight: 421.35124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)Br)OC)CSC2=CC=CC=C2C3=NCCCN3

Isomeric SMILES

COC1=C(C(=C(C=C1)Br)OC)CSC2=CC=CC=C2C3=NCCCN3

InChI

InChI=1S/C19H21BrN2O2S/c1-23-16-9-8-15(20)18(24-2)14(16)12-25-17-7-4-3-6-13(17)19-21-10-5-11-22-19/h3-4,6-9H,5,10-12H2,1-2H3,(H,21,22)