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3-butyl-7-cyclopentyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione

3-butyl-7-cyclopentyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione

Systemtic Name:3-butyl-7-cyclopentyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione
Openeye Name:3-butyl-7-cyclopentyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione
CAS Name:3-butyl-7-cyclopentyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione
IUPAC Name:3-butyl-7-cyclopentyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione
Traditional Name:3-butyl-7-cyclopentyl-8-[4-(trifluoromethyl)phenyl]xanthine
Formula: C21H23F3N4O2
MolecularWeight: 420.42813
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C(F)(F)F)C4CCCC4


Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C(F)(F)F)C4CCCC4


InChI

InChI=1S/C21H23F3N4O2/c1-2-3-12-27-18-16(19(29)26-20(27)30)28(15-6-4-5-7-15)17(25-18)13-8-10-14(11-9-13)21(22,23)24/h8-11,15H,2-7,12H2,1H3,(H,26,29,30)


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