2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine

Systemtic Name: 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine Openeye Name: 2-[4-[2-(trifluoromethyl)phenoxy]-1-piperidyl]-7H-purine CAS Name: 2-[4-[2-(trifluoromethyl)phenoxy]-1-piperidinyl]-7H-purine IUPAC Name: 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine Traditional Name: 2-[4-[2-(trifluoromethyl)phenoxy]piperidino]-7H-purine Formula: C17H16F3N5O MolecularWeight: 363.33705

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC=C2C(F)(F)F)C3=NC=C4C(=N3)N=CN4

Isomeric SMILES

C1CN(CCC1OC2=CC=CC=C2C(F)(F)F)C3=NC=C4C(=N3)N=CN4

InChI

InChI=1S/C17H16F3N5O/c18-17(19,20)12-3-1-2-4-14(12)26-11-5-7-25(8-6-11)16-21-9-13-15(24-16)23-10-22-13/h1-4,9-11H,5-8H2,(H,21,22,23,24)