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5-[9-ethyl-6-oxidanylidene-2-[4-(trifluoromethyl)cyclohexyl]purin-1-yl]pyridine-2-carbonitrile

5-[9-ethyl-6-oxidanylidene-2-[4-(trifluoromethyl)cyclohexyl]purin-1-yl]pyridine-2-carbonitrile

Systemtic Name:5-[9-ethyl-6-oxidanylidene-2-[4-(trifluoromethyl)cyclohexyl]purin-1-yl]pyridine-2-carbonitrile
Openeye Name:5-[9-ethyl-6-oxo-2-[4-(trifluoromethyl)cyclohexyl]purin-1-yl]pyridine-2-carbonitrile
CAS Name:5-[9-ethyl-6-oxo-2-[4-(trifluoromethyl)cyclohexyl]-1-purinyl]-2-pyridinecarbonitrile
IUPAC Name:5-[9-ethyl-6-oxo-2-[4-(trifluoromethyl)cyclohexyl]purin-1-yl]pyridine-2-carbonitrile
Traditional Name:5-[9-ethyl-6-keto-2-[4-(trifluoromethyl)cyclohexyl]purin-1-yl]picolinonitrile
Formula: C20H19F3N6O
MolecularWeight: 416.39967
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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N(C2=O)C3=CN=C(C=C3)C#N)C4CCC(CC4)C(F)(F)F


Isomeric SMILES

CCN1C=NC2=C1N=C(N(C2=O)C3=CN=C(C=C3)C#N)C4CCC(CC4)C(F)(F)F


InChI

InChI=1S/C20H19F3N6O/c1-2-28-11-26-16-18(28)27-17(12-3-5-13(6-4-12)20(21,22)23)29(19(16)30)15-8-7-14(9-24)25-10-15/h7-8,10-13H,2-6H2,1H3


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