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

Systemtic Name: 2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-propyl-phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-propyl-phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylthio]-3-propylphenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-propylphenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(5-bromo-2-methoxy-benzyl)thio]-3-propyl-phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C21H25BrN2OS MolecularWeight: 433.405

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1SCC2=C(C=CC(=C2)Br)OC)C3=NCCCN3

Isomeric SMILES

CCCC1=CC=CC(=C1SCC2=C(C=CC(=C2)Br)OC)C3=NCCCN3

InChI

InChI=1S/C21H25BrN2OS/c1-3-6-15-7-4-8-18(21-23-11-5-12-24-21)20(15)26-14-16-13-17(22)9-10-19(16)25-2/h4,7-10,13H,3,5-6,11-12,14H2,1-2H3,(H,23,24)