tert-butyl [2-(phenethylamino)-6-(trifluoromethyl)purin-9-yl]methyl carbonate

Systemtic Name: tert-butyl [2-(phenethylamino)-6-(trifluoromethyl)purin-9-yl]methyl carbonate Openeye Name: tert-butyl [2-(phenethylamino)-6-(trifluoromethyl)purin-9-yl]methyl carbonate CAS Name: carbonic acid tert-butyl [2-(phenethylamino)-6-(trifluoromethyl)-9-purinyl]methyl ester IUPAC Name: tert-butyl [2-(phenethylamino)-6-(trifluoromethyl)purin-9-yl]methyl carbonate Traditional Name: carbonic acid tert-butyl [2-(phenethylamino)-6-(trifluoromethyl)purin-9-yl]methyl ester Formula: C20H22F3N5O3 MolecularWeight: 437.41559

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OCN1C=NC2=C(N=C(N=C21)NCCC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)OCN1C=NC2=C(N=C(N=C21)NCCC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N5O3/c1-19(2,3)31-18(29)30-12-28-11-25-14-15(20(21,22)23)26-17(27-16(14)28)24-10-9-13-7-5-4-6-8-13/h4-8,11H,9-10,12H2,1-3H3,(H,24,26,27)