9-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine

Systemtic Name: 9-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine Openeye Name: 9-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine CAS Name: 9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-cyclopropyl-2-(trifluoromethyl)-6-purinamine IUPAC Name: 9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-cyclopropyl-2-(trifluoromethyl)purin-6-amine Traditional Name: [9-[3-(cyclopentoxy)-4-methoxy-benzyl]-2-(trifluoromethyl)purin-6-yl]-cyclopropyl-amine Formula: C22H24F3N5O2 MolecularWeight: 447.45347

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=NC3=C2N=C(N=C3NC4CC4)C(F)(F)F)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=NC3=C2N=C(N=C3NC4CC4)C(F)(F)F)OC5CCCC5

InChI

InChI=1S/C22H24F3N5O2/c1-31-16-9-6-13(10-17(16)32-15-4-2-3-5-15)11-30-12-26-18-19(27-14-7-8-14)28-21(22(23,24)25)29-20(18)30/h6,9-10,12,14-15H,2-5,7-8,11H2,1H3,(H,27,28,29)