2-chloranyl-6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine

Systemtic Name: 2-chloranyl-6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine Openeye Name: 2-chloro-6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine CAS Name: 2-chloro-6-[4-[2-(trifluoromethyl)phenyl]-1-piperazinyl]-7H-purine IUPAC Name: 2-chloro-6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine Traditional Name: 2-chloro-6-[4-[2-(trifluoromethyl)phenyl]piperazino]-7H-purine Formula: C16H14ClF3N6 MolecularWeight: 382.77077

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C(F)(F)F)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C(F)(F)F)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C16H14ClF3N6/c17-15-23-13-12(21-9-22-13)14(24-15)26-7-5-25(6-8-26)11-4-2-1-3-10(11)16(18,19)20/h1-4,9H,5-8H2,(H,21,22,23,24)