N-[6-azanyl-9-ethyl-8-(4-fluoranyl-3-phenyl-pyrazol-1-yl)purin-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[6-azanyl-9-ethyl-8-(4-fluoranyl-3-phenyl-pyrazol-1-yl)purin-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[6-amino-9-ethyl-8-(4-fluoro-3-phenyl-pyrazol-1-yl)purin-2-yl]-2,2-dimethyl-propanamide CAS Name: N-[6-amino-9-ethyl-8-(4-fluoro-3-phenyl-1-pyrazolyl)-2-purinyl]-2,2-dimethylpropanamide IUPAC Name: N-[6-amino-9-ethyl-8-(4-fluoro-3-phenylpyrazol-1-yl)purin-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[6-amino-9-ethyl-8-(4-fluoro-3-phenyl-pyrazol-1-yl)purin-2-yl]-2,2-dimethyl-propionamide Formula: C21H23FN8O MolecularWeight: 422.458723

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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)C4=CC=CC=C4)F

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)NC(=O)C(C)(C)C)N)N=C1N3C=C(C(=N3)C4=CC=CC=C4)F

InChI

InChI=1S/C21H23FN8O/c1-5-29-17-15(16(23)25-19(26-17)27-18(31)21(2,3)4)24-20(29)30-11-13(22)14(28-30)12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H3,23,25,26,27,31)