1-methyl-2-[2-methylpropyl(oxidanyl)amino]-7-(phenylmethyl)-8-(trifluoromethyl)purin-6-one

Systemtic Name: 1-methyl-2-[2-methylpropyl(oxidanyl)amino]-7-(phenylmethyl)-8-(trifluoromethyl)purin-6-one Openeye Name: 7-benzyl-2-[hydroxy(isobutyl)amino]-1-methyl-8-(trifluoromethyl)purin-6-one CAS Name: 2-[hydroxy(2-methylpropyl)amino]-1-methyl-7-(phenylmethyl)-8-(trifluoromethyl)-6-purinone IUPAC Name: 7-benzyl-2-[hydroxy(2-methylpropyl)amino]-1-methyl-8-(trifluoromethyl)purin-6-one Traditional Name: 7-benzyl-2-[hydroxy(isobutyl)amino]-1-methyl-8-(trifluoromethyl)purin-6-one Formula: C18H20F3N5O2 MolecularWeight: 395.37891

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1=NC2=C(C(=O)N1C)N(C(=N2)C(F)(F)F)CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)CN(C1=NC2=C(C(=O)N1C)N(C(=N2)C(F)(F)F)CC3=CC=CC=C3)O

InChI

InChI=1S/C18H20F3N5O2/c1-11(2)9-26(28)17-23-14-13(15(27)24(17)3)25(16(22-14)18(19,20)21)10-12-7-5-4-6-8-12/h4-8,11,28H,9-10H2,1-3H3