8-methoxy-7-methyl-3-[4,4,4-tris(fluoranyl)butyl]purine-2,6-dione

Systemtic Name: 8-methoxy-7-methyl-3-[4,4,4-tris(fluoranyl)butyl]purine-2,6-dione Openeye Name: 8-methoxy-7-methyl-3-(4,4,4-trifluorobutyl)purine-2,6-dione CAS Name: 8-methoxy-7-methyl-3-(4,4,4-trifluorobutyl)purine-2,6-dione IUPAC Name: 8-methoxy-7-methyl-3-(4,4,4-trifluorobutyl)purine-2,6-dione Traditional Name: 8-methoxy-7-methyl-3-(4,4,4-trifluorobutyl)xanthine Formula: C11H13F3N4O3 MolecularWeight: 306.24113

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC)N(C(=O)NC2=O)CCCC(F)(F)F

Isomeric SMILES

CN1C2=C(N=C1OC)N(C(=O)NC2=O)CCCC(F)(F)F

InChI

InChI=1S/C11H13F3N4O3/c1-17-6-7(15-10(17)21-2)18(9(20)16-8(6)19)5-3-4-11(12,13)14/h3-5H2,1-2H3,(H,16,19,20)