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

Systemtic Name: 2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(5-bromo-2-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=C(C=C1)Br)CSC2=CC=CC=C2C3=NCCCN3

Isomeric SMILES

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

InChI

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