9-(4-tert-butylphenyl)-8-oxidanylidene-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide

Systemtic Name: 9-(4-tert-butylphenyl)-8-oxidanylidene-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Openeye Name: 9-(4-tert-butylphenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide CAS Name: 9-(4-tert-butylphenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide IUPAC Name: 9-(4-tert-butylphenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Traditional Name: 9-(4-tert-butylphenyl)-8-keto-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Formula: C23H20F3N5O2 MolecularWeight: 455.43241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H20F3N5O2/c1-22(2,3)13-8-10-15(11-9-13)31-20-17(29-21(31)33)16(18(27)32)28-19(30-20)12-4-6-14(7-5-12)23(24,25)26/h4-11H,1-3H3,(H2,27,32)(H,29,33)