2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(2,3,4-trifluorophenyl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(2,3,4-trifluorophenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,3,4-trifluorophenyl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(2,3,4-trifluorophenyl)acetamide Formula: C15H12F3N5O3 MolecularWeight: 367.28269

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C(=C(C=C3)F)F)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C15H12F3N5O3/c1-21-13-12(14(25)22(2)15(21)26)23(6-19-13)5-9(24)20-8-4-3-7(16)10(17)11(8)18/h3-4,6H,5H2,1-2H3,(H,20,24)