2-[[2-bromanyl-6-oxidanylidene-9-propan-2-yl-8-(trifluoromethyl)purin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-bromanyl-6-oxidanylidene-9-propan-2-yl-8-(trifluoromethyl)purin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-bromo-9-isopropyl-6-oxo-8-(trifluoromethyl)purin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-bromo-6-oxo-9-propan-2-yl-8-(trifluoromethyl)-1-purinyl]methyl]benzonitrile IUPAC Name: 2-[[2-bromo-6-oxo-9-propan-2-yl-8-(trifluoromethyl)purin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-bromo-9-isopropyl-6-keto-8-(trifluoromethyl)purin-1-yl]methyl]benzonitrile Formula: C17H13BrF3N5O MolecularWeight: 440.21723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=O)N(C(=N2)Br)CC3=CC=CC=C3C#N)N=C1C(F)(F)F

Isomeric SMILES

CC(C)N1C2=C(C(=O)N(C(=N2)Br)CC3=CC=CC=C3C#N)N=C1C(F)(F)F

InChI

InChI=1S/C17H13BrF3N5O/c1-9(2)26-13-12(23-15(26)17(19,20)21)14(27)25(16(18)24-13)8-11-6-4-3-5-10(11)7-22/h3-6,9H,8H2,1-2H3