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

Systemtic Name: 3-butyl-7-methyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione Openeye Name: 3-butyl-7-methyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione CAS Name: 3-butyl-7-methyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione IUPAC Name: 3-butyl-7-methyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione Traditional Name: 3-butyl-7-methyl-8-[4-(trifluoromethyl)phenyl]xanthine Formula: C17H17F3N4O2 MolecularWeight: 366.33769

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3N4O2/c1-3-4-9-24-14-12(15(25)22-16(24)26)23(2)13(21-14)10-5-7-11(8-6-10)17(18,19)20/h5-8H,3-4,9H2,1-2H3,(H,22,25,26)