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

Systemtic Name: 7-butyl-3-propyl-8-[3-(trifluoromethyl)phenyl]purine-2,6-dione Openeye Name: 7-butyl-3-propyl-8-[3-(trifluoromethyl)phenyl]purine-2,6-dione CAS Name: 7-butyl-3-propyl-8-[3-(trifluoromethyl)phenyl]purine-2,6-dione IUPAC Name: 7-butyl-3-propyl-8-[3-(trifluoromethyl)phenyl]purine-2,6-dione Traditional Name: 7-butyl-3-propyl-8-[3-(trifluoromethyl)phenyl]xanthine Formula: C19H21F3N4O2 MolecularWeight: 394.39085

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=CC(=CC=C3)C(F)(F)F)N(C(=O)NC2=O)CCC

Isomeric SMILES

CCCCN1C2=C(N=C1C3=CC(=CC=C3)C(F)(F)F)N(C(=O)NC2=O)CCC

InChI

InChI=1S/C19H21F3N4O2/c1-3-5-10-25-14-16(26(9-4-2)18(28)24-17(14)27)23-15(25)12-7-6-8-13(11-12)19(20,21)22/h6-8,11H,3-5,9-10H2,1-2H3,(H,24,27,28)