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9-(phenylmethyl)-2-(trifluoromethyl)purin-6-olate

9-(phenylmethyl)-2-(trifluoromethyl)purin-6-olate

Systemtic Name:9-(phenylmethyl)-2-(trifluoromethyl)purin-6-olate
Openeye Name:9-benzyl-2-(trifluoromethyl)purin-6-olate
CAS Name:9-(phenylmethyl)-2-(trifluoromethyl)-6-purinolate
IUPAC Name:9-benzyl-2-(trifluoromethyl)purin-6-olate
Traditional Name:9-benzyl-2-(trifluoromethyl)purin-6-olate
Formula: C13H8F3N4O-
MolecularWeight: 293.22403
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3[O-])C(F)(F)F


Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3[O-])C(F)(F)F


InChI

InChI=1S/C13H9F3N4O/c14-13(15,16)12-18-10-9(11(21)19-12)17-7-20(10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,18,19,21)/p-1


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