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

Systemtic Name: 3-butyl-7-(2-methylpropyl)-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione Openeye Name: 3-butyl-7-isobutyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione CAS Name: 3-butyl-7-(2-methylpropyl)-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione IUPAC Name: 3-butyl-7-(2-methylpropyl)-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione Traditional Name: 3-butyl-7-isobutyl-8-[4-(trifluoromethyl)phenyl]xanthine Formula: C20H23F3N4O2 MolecularWeight: 408.41743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C(F)(F)F)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C(F)(F)F)CC(C)C

InChI

InChI=1S/C20H23F3N4O2/c1-4-5-10-26-17-15(18(28)25-19(26)29)27(11-12(2)3)16(24-17)13-6-8-14(9-7-13)20(21,22)23/h6-9,12H,4-5,10-11H2,1-3H3,(H,25,28,29)