2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine

Systemtic Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine Openeye Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine CAS Name: 2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-7H-purine IUPAC Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine Traditional Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazino]-7H-purine Formula: C16H15F3N6 MolecularWeight: 348.32571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC=C4C(=N3)N=CN4

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC=C4C(=N3)N=CN4

InChI

InChI=1S/C16H15F3N6/c17-16(18,19)11-2-1-3-12(8-11)24-4-6-25(7-5-24)15-20-9-13-14(23-15)22-10-21-13/h1-3,8-10H,4-7H2,(H,20,21,22,23)