1-methyl-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-8-(trifluoromethyl)-7H-purin-6-one

Systemtic Name: 1-methyl-2-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-8-(trifluoromethyl)-7H-purin-6-one Openeye Name: 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-8-(trifluoromethyl)-7H-purin-6-one CAS Name: 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-8-(trifluoromethyl)-7H-purin-6-one IUPAC Name: 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-8-(trifluoromethyl)-7H-purin-6-one Traditional Name: 2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methyl-8-(trifluoromethyl)-7H-purin-6-one Formula: C12H14F3N5O2 MolecularWeight: 317.26707

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2)C(F)(F)F)N=C1NC3CCCC3O

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2)C(F)(F)F)N=C1N[C@@H]3CCC[C@H]3O

InChI

InChI=1S/C12H14F3N5O2/c1-20-9(22)7-8(18-10(17-7)12(13,14)15)19-11(20)16-5-3-2-4-6(5)21/h5-6,21H,2-4H2,1H3,(H,16,19)(H,17,18)/t5-,6-/m1/s1