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

Systemtic Name: 2-[[2-azanyl-6-oxidanylidene-9-propan-2-yl-8-(trifluoromethyl)purin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-amino-9-isopropyl-6-oxo-8-(trifluoromethyl)purin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-amino-6-oxo-9-propan-2-yl-8-(trifluoromethyl)-1-purinyl]methyl]benzonitrile IUPAC Name: 2-[[2-amino-6-oxo-9-propan-2-yl-8-(trifluoromethyl)purin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-amino-9-isopropyl-6-keto-8-(trifluoromethyl)purin-1-yl]methyl]benzonitrile Formula: C17H15F3N6O MolecularWeight: 376.33581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15F3N6O/c1-9(2)26-13-12(23-15(26)17(18,19)20)14(27)25(16(22)24-13)8-11-6-4-3-5-10(11)7-21/h3-6,9H,8H2,1-2H3,(H2,22,24)