7-(2-methoxyethyl)-3-propyl-8-(trifluoromethyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-propyl-8-(trifluoromethyl)purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-propyl-8-(trifluoromethyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-propyl-8-(trifluoromethyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-propyl-8-(trifluoromethyl)purine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-propyl-8-(trifluoromethyl)xanthine Formula: C12H15F3N4O3 MolecularWeight: 320.26771

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C(F)(F)F)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C(F)(F)F)CCOC

InChI

InChI=1S/C12H15F3N4O3/c1-3-4-19-8-7(9(20)17-11(19)21)18(5-6-22-2)10(16-8)12(13,14)15/h3-6H2,1-2H3,(H,17,20,21)