2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]-4-ethyl-1,3-diazinane

Systemtic Name: 2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]-4-ethyl-1,3-diazinane Openeye Name: 2-[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]-4-ethyl-hexahydropyrimidine CAS Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]-4-ethyl-1,3-diazinane IUPAC Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]-4-ethyl-1,3-diazinane Traditional Name: 2-[2-[(5-bromo-2-methoxy-benzyl)thio]phenyl]-4-ethyl-hexahydropyrimidine Formula: C20H25BrN2OS MolecularWeight: 421.3943

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCNC(N1)C2=CC=CC=C2SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCC1CCNC(N1)C2=CC=CC=C2SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C20H25BrN2OS/c1-3-16-10-11-22-20(23-16)17-6-4-5-7-19(17)25-13-14-12-15(21)8-9-18(14)24-2/h4-9,12,16,20,22-23H,3,10-11,13H2,1-2H3