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

Systemtic Name: 2-[2-[(5-bromanyl-2-propoxy-phenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(5-bromo-2-propoxy-phenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(5-bromo-2-propoxyphenyl)methylthio]phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(5-bromo-2-propoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(5-bromo-2-propoxy-benzyl)thio]phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C20H23BrN2OS MolecularWeight: 419.37842

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2C3=NCCCN3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2C3=NCCCN3

InChI

InChI=1S/C20H23BrN2OS/c1-2-12-24-18-9-8-16(21)13-15(18)14-25-19-7-4-3-6-17(19)20-22-10-5-11-23-20/h3-4,6-9,13H,2,5,10-12,14H2,1H3,(H,22,23)