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

Systemtic Name: tert-butyl [2-[(phenylmethyl)amino]-6-(trifluoromethyl)purin-9-yl]methyl carbonate Openeye Name: [2-(benzylamino)-6-(trifluoromethyl)purin-9-yl]methyl tert-butyl carbonate CAS Name: carbonic acid tert-butyl [2-[(phenylmethyl)amino]-6-(trifluoromethyl)-9-purinyl]methyl ester IUPAC Name: [2-(benzylamino)-6-(trifluoromethyl)purin-9-yl]methyl tert-butyl carbonate Traditional Name: carbonic acid [2-(benzylamino)-6-(trifluoromethyl)purin-9-yl]methyl tert-butyl ester Formula: C19H20F3N5O3 MolecularWeight: 423.38901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OCN1C=NC2=C(N=C(N=C21)NCC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)OCN1C=NC2=C(N=C(N=C21)NCC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N5O3/c1-18(2,3)30-17(28)29-11-27-10-24-13-14(19(20,21)22)25-16(26-15(13)27)23-9-12-7-5-4-6-8-12/h4-8,10H,9,11H2,1-3H3,(H,23,25,26)