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

Systemtic Name: 2-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]pyridin-2-yl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-2-pyridyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[3-[(5-bromo-2-methoxyphenyl)methylthio]-2-pyridinyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-2-yl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[3-[(5-bromo-2-methoxy-benzyl)thio]-2-pyridyl]-1,4,5,6-tetrahydropyrimidine Formula: C17H18BrN3OS MolecularWeight: 392.31332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=C(N=CC=C2)C3=NCCCN3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=C(N=CC=C2)C3=NCCCN3

InChI

InChI=1S/C17H18BrN3OS/c1-22-14-6-5-13(18)10-12(14)11-23-15-4-2-7-19-16(15)17-20-8-3-9-21-17/h2,4-7,10H,3,8-9,11H2,1H3,(H,20,21)