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

Systemtic Name: 2-[2-[(2-bromanyl-6-methoxy-phenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(2-bromo-6-methoxy-phenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(2-bromo-6-methoxyphenyl)methylthio]phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(2-bromo-6-methoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(2-bromo-6-methoxy-benzyl)thio]phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C18H19BrN2OS MolecularWeight: 391.32526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2OS/c1-22-16-8-4-7-15(19)14(16)12-23-17-9-3-2-6-13(17)18-20-10-5-11-21-18/h2-4,6-9H,5,10-12H2,1H3,(H,20,21)