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

Systemtic Name: 2-[2-[(5-bromanyl-2-cyclopentyloxy-phenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[[5-bromo-2-(cyclopentoxy)phenyl]methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(5-bromo-2-cyclopentyloxyphenyl)methylthio]phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(5-bromo-2-cyclopentyloxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[[5-bromo-2-(cyclopentoxy)benzyl]thio]phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C22H25BrN2OS MolecularWeight: 445.4157

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=C(C=C(C=C2)Br)CSC3=CC=CC=C3C4=NCCCN4

Isomeric SMILES

C1CCC(C1)OC2=C(C=C(C=C2)Br)CSC3=CC=CC=C3C4=NCCCN4

InChI

InChI=1S/C22H25BrN2OS/c23-17-10-11-20(26-18-6-1-2-7-18)16(14-17)15-27-21-9-4-3-8-19(21)22-24-12-5-13-25-22/h3-4,8-11,14,18H,1-2,5-7,12-13,15H2,(H,24,25)