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

Systemtic Name: 3-(phenylmethyl)-7-propyl-8-[3-(trifluoromethyl)phenyl]purine-2,6-dione Openeye Name: 3-benzyl-7-propyl-8-[3-(trifluoromethyl)phenyl]purine-2,6-dione CAS Name: 3-(phenylmethyl)-7-propyl-8-[3-(trifluoromethyl)phenyl]purine-2,6-dione IUPAC Name: 3-benzyl-7-propyl-8-[3-(trifluoromethyl)phenyl]purine-2,6-dione Traditional Name: 3-benzyl-7-propyl-8-[3-(trifluoromethyl)phenyl]xanthine Formula: C22H19F3N4O2 MolecularWeight: 428.40707

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1C3=CC(=CC=C3)C(F)(F)F)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(N=C1C3=CC(=CC=C3)C(F)(F)F)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H19F3N4O2/c1-2-11-28-17-19(26-18(28)15-9-6-10-16(12-15)22(23,24)25)29(21(31)27-20(17)30)13-14-7-4-3-5-8-14/h3-10,12H,2,11,13H2,1H3,(H,27,30,31)