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9-ethyl-1-(6-methylpyridin-3-yl)-2-[4-(trifluoromethyl)cyclohexyl]purin-6-one

9-ethyl-1-(6-methylpyridin-3-yl)-2-[4-(trifluoromethyl)cyclohexyl]purin-6-one

Systemtic Name:9-ethyl-1-(6-methylpyridin-3-yl)-2-[4-(trifluoromethyl)cyclohexyl]purin-6-one
Openeye Name:9-ethyl-1-(6-methyl-3-pyridyl)-2-[4-(trifluoromethyl)cyclohexyl]purin-6-one
CAS Name:9-ethyl-1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)cyclohexyl]-6-purinone
IUPAC Name:9-ethyl-1-(6-methylpyridin-3-yl)-2-[4-(trifluoromethyl)cyclohexyl]purin-6-one
Traditional Name:9-ethyl-1-(6-methyl-3-pyridyl)-2-[4-(trifluoromethyl)cyclohexyl]purin-6-one
Formula: C20H22F3N5O
MolecularWeight: 405.41679
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H22F3N5O/c1-3-27-11-25-16-18(27)26-17(13-5-7-14(8-6-13)20(21,22)23)28(19(16)29)15-9-4-12(2)24-10-15/h4,9-11,13-14H,3,5-8H2,1-2H3


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