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

Systemtic Name: 6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine Openeye Name: 6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine CAS Name: 6-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-7H-purine IUPAC Name: 6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine Traditional Name: 6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-7H-purine Formula: C16H14F3N7O2 MolecularWeight: 393.32327

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=NC=NC4=C3NC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C16H14F3N7O2/c17-16(18,19)10-1-2-11(12(7-10)26(27)28)24-3-5-25(6-4-24)15-13-14(21-8-20-13)22-9-23-15/h1-2,7-9H,3-6H2,(H,20,21,22,23)