N-[6-azanyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purin-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[6-azanyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purin-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[6-amino-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purin-2-yl]-2,2-dimethyl-propanamide CAS Name: N-[6-amino-9-ethyl-8-[4-(trifluoromethyl)-1-pyrazolyl]-2-purinyl]-2,2-dimethylpropanamide IUPAC Name: N-[6-amino-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purin-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[6-amino-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purin-2-yl]-2,2-dimethyl-propionamide Formula: C16H19F3N8O MolecularWeight: 396.37027

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)NC(=O)C(C)(C)C)N)N=C1N3C=C(C=N3)C(F)(F)F

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)NC(=O)C(C)(C)C)N)N=C1N3C=C(C=N3)C(F)(F)F

InChI

InChI=1S/C16H19F3N8O/c1-5-26-11-9(10(20)23-13(24-11)25-12(28)15(2,3)4)22-14(26)27-7-8(6-21-27)16(17,18)19/h6-7H,5H2,1-4H3,(H3,20,23,24,25,28)