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

Systemtic Name: 2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-(3,7-dibutyl-2,6-dioxo-purin-1-yl)-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-(3,7-dibutyl-2,6-dioxo-1-purinyl)-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-(3,7-dibutyl-2,6-dioxopurin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-(3,7-dibutyl-2,6-diketo-purin-1-yl)-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C22H28FN5O3 MolecularWeight: 429.487823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NC3=CC(=C(C=C3)C)F

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NC3=CC(=C(C=C3)C)F

InChI

InChI=1S/C22H28FN5O3/c1-4-6-10-26-14-24-20-19(26)21(30)28(22(31)27(20)11-7-5-2)13-18(29)25-16-9-8-15(3)17(23)12-16/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,25,29)