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

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-(4-chloro-2-fluoro-phenyl)acetamide CAS Name: N-(4-chloro-2-fluorophenyl)-2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-(4-chloro-2-fluoro-phenyl)acetamide Formula: C22H19ClFN5O3 MolecularWeight: 455.869363

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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)Cl)F

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClFN5O3/c1-2-27-13-25-20-19(27)21(31)29(22(32)28(20)11-14-6-4-3-5-7-14)12-18(30)26-17-9-8-15(23)10-16(17)24/h3-10,13H,2,11-12H2,1H3,(H,26,30)