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

Systemtic Name: 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide CAS Name: 2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-(2,3,4-trifluorophenyl)acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide Formula: C22H18F3N5O3 MolecularWeight: 457.40523

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=C(C(=C(C=C4)F)F)F

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=C(C(=C(C=C4)F)F)F

InChI

InChI=1S/C22H18F3N5O3/c1-2-28-12-26-20-19(28)21(32)30(22(33)29(20)10-13-6-4-3-5-7-13)11-16(31)27-15-9-8-14(23)17(24)18(15)25/h3-9,12H,2,10-11H2,1H3,(H,27,31)