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

Systemtic Name: 2-[2-[(2-cyclopentyloxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[[2-(cyclopentoxy)phenyl]methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(2-cyclopentyloxyphenyl)methylthio]phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(2-cyclopentyloxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[[2-(cyclopentoxy)benzyl]thio]phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC=C2CSC3=CC=CC=C3C4=NCCCN4

Isomeric SMILES

C1CCC(C1)OC2=CC=CC=C2CSC3=CC=CC=C3C4=NCCCN4

InChI

InChI=1S/C22H26N2OS/c1-5-12-20(25-18-9-2-3-10-18)17(8-1)16-26-21-13-6-4-11-19(21)22-23-14-7-15-24-22/h1,4-6,8,11-13,18H,2-3,7,9-10,14-16H2,(H,23,24)