3-butyl-1-methyl-8-(trifluoromethyl)-7H-purine-2,6-dione

Systemtic Name: 3-butyl-1-methyl-8-(trifluoromethyl)-7H-purine-2,6-dione Openeye Name: 3-butyl-1-methyl-8-(trifluoromethyl)-7H-purine-2,6-dione CAS Name: 3-butyl-1-methyl-8-(trifluoromethyl)-7H-purine-2,6-dione IUPAC Name: 3-butyl-1-methyl-8-(trifluoromethyl)-7H-purine-2,6-dione Traditional Name: 3-butyl-1-methyl-8-(trifluoromethyl)-7H-purine-2,6-quinone Formula: C11H13F3N4O2 MolecularWeight: 290.24173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C(F)(F)F

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C(F)(F)F

InChI

InChI=1S/C11H13F3N4O2/c1-3-4-5-18-7-6(8(19)17(2)10(18)20)15-9(16-7)11(12,13)14/h3-5H2,1-2H3,(H,15,16)