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

Systemtic Name: 2-[3-butyl-7-cyclopentyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(4-chloranyl-2-fluoranyl-phenyl)ethanamide Openeye Name: 2-(3-butyl-7-cyclopentyl-2,6-dioxo-purin-1-yl)-N-(4-chloro-2-fluoro-phenyl)acetamide CAS Name: 2-(3-butyl-7-cyclopentyl-2,6-dioxo-1-purinyl)-N-(4-chloro-2-fluorophenyl)acetamide IUPAC Name: 2-(3-butyl-7-cyclopentyl-2,6-dioxopurin-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide Traditional Name: 2-(3-butyl-7-cyclopentyl-2,6-diketo-purin-1-yl)-N-(4-chloro-2-fluoro-phenyl)acetamide Formula: C22H25ClFN5O3 MolecularWeight: 461.917003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=C(C=C(C=C3)Cl)F)N(C=N2)C4CCCC4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=C(C=C(C=C3)Cl)F)N(C=N2)C4CCCC4

InChI

InChI=1S/C22H25ClFN5O3/c1-2-3-10-27-20-19(29(13-25-20)15-6-4-5-7-15)21(31)28(22(27)32)12-18(30)26-17-9-8-14(23)11-16(17)24/h8-9,11,13,15H,2-7,10,12H2,1H3,(H,26,30)