4-[9-methyl-6-oxidanylidene-2-[4-(trifluoromethyl)cyclohexyl]purin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[9-methyl-6-oxidanylidene-2-[4-(trifluoromethyl)cyclohexyl]purin-1-yl]benzenecarbonitrile Openeye Name: 4-[9-methyl-6-oxo-2-[4-(trifluoromethyl)cyclohexyl]purin-1-yl]benzonitrile CAS Name: 4-[9-methyl-6-oxo-2-[4-(trifluoromethyl)cyclohexyl]-1-purinyl]benzonitrile IUPAC Name: 4-[9-methyl-6-oxo-2-[4-(trifluoromethyl)cyclohexyl]purin-1-yl]benzonitrile Traditional Name: 4-[6-keto-9-methyl-2-[4-(trifluoromethyl)cyclohexyl]purin-1-yl]benzonitrile Formula: C20H18F3N5O MolecularWeight: 401.38503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)C#N)C4CCC(CC4)C(F)(F)F

Isomeric SMILES

CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)C#N)C4CCC(CC4)C(F)(F)F

InChI

InChI=1S/C20H18F3N5O/c1-27-11-25-16-18(27)26-17(13-4-6-14(7-5-13)20(21,22)23)28(19(16)29)15-8-2-12(10-24)3-9-15/h2-3,8-9,11,13-14H,4-7H2,1H3