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

Systemtic Name: 7-(2-methoxyethyl)-3-propyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-propyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-propyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-propyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-propyl-8-[4-(trifluoromethyl)phenyl]xanthine Formula: C18H19F3N4O3 MolecularWeight: 396.36367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C(F)(F)F)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C(F)(F)F)CCOC

InChI

InChI=1S/C18H19F3N4O3/c1-3-8-25-15-13(16(26)23-17(25)27)24(9-10-28-2)14(22-15)11-4-6-12(7-5-11)18(19,20)21/h4-7H,3,8-10H2,1-2H3,(H,23,26,27)