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

Systemtic Name: 2-[2-[(2-cyclopentyloxynaphthalen-1-yl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[2-[[2-(cyclopentoxy)-1-naphthyl]methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[2-[(2-cyclopentyloxy-1-naphthalenyl)methylthio]phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[2-[(2-cyclopentyloxynaphthalen-1-yl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[2-[[2-(cyclopentoxy)-1-naphthyl]methylthio]phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=C(C3=CC=CC=C3C=C2)CSC4=CC=CC=C4C5=NCCCN5

Isomeric SMILES

C1CCC(C1)OC2=C(C3=CC=CC=C3C=C2)CSC4=CC=CC=C4C5=NCCCN5

InChI

InChI=1S/C26H28N2OS/c1-4-11-21-19(8-1)14-15-24(29-20-9-2-3-10-20)23(21)18-30-25-13-6-5-12-22(25)26-27-16-7-17-28-26/h1,4-6,8,11-15,20H,2-3,7,9-10,16-18H2,(H,27,28)