9-(3,4-dimethylphenyl)-8-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide

Systemtic Name: 9-(3,4-dimethylphenyl)-8-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Openeye Name: 9-(3,4-dimethylphenyl)-8-oxo-2-[3-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide CAS Name: 9-(3,4-dimethylphenyl)-8-oxo-2-[3-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide IUPAC Name: 9-(3,4-dimethylphenyl)-8-oxo-2-[3-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Traditional Name: 9-(3,4-dimethylphenyl)-8-keto-2-[3-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide Formula: C21H16F3N5O2 MolecularWeight: 427.37925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=CC=C4)C(F)(F)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=CC=C4)C(F)(F)F)C

InChI

InChI=1S/C21H16F3N5O2/c1-10-6-7-14(8-11(10)2)29-19-16(27-20(29)31)15(17(25)30)26-18(28-19)12-4-3-5-13(9-12)21(22,23)24/h3-9H,1-2H3,(H2,25,30)(H,27,31)