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

Systemtic Name: 2-[2-[(6-bromanyl-2-methoxy-naphthalen-1-yl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[(6-bromo-2-methoxy-1-naphthyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(6-bromo-2-methoxy-1-naphthalenyl)methylthio]phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(6-bromo-2-methoxynaphthalen-1-yl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[(6-bromo-2-methoxy-1-naphthyl)methylthio]phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C22H21BrN2OS MolecularWeight: 441.38394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=C(C=C2)Br)CSC3=CC=CC=C3C4=NCCCN4

Isomeric SMILES

COC1=C(C2=C(C=C1)C=C(C=C2)Br)CSC3=CC=CC=C3C4=NCCCN4

InChI

InChI=1S/C22H21BrN2OS/c1-26-20-10-7-15-13-16(23)8-9-17(15)19(20)14-27-21-6-3-2-5-18(21)22-24-11-4-12-25-22/h2-3,5-10,13H,4,11-12,14H2,1H3,(H,24,25)