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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NCCCN2)SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NCCCN2)SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C19H21BrN2O2S/c1-23-15-5-6-16(19-21-8-3-9-22-19)18(11-15)25-12-13-10-14(20)4-7-17(13)24-2/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,22)