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

Systemtic Name: 2-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-(7-butyl-2,6-dioxo-3-propyl-purin-1-yl)-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-(7-butyl-2,6-dioxo-3-propyl-1-purinyl)-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-(7-butyl-2,6-dioxo-3-propylpurin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-(7-butyl-2,6-diketo-3-propyl-purin-1-yl)-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C21H26FN5O3 MolecularWeight: 415.461243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC(=O)NC3=CC(=C(C=C3)C)F

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC(=O)NC3=CC(=C(C=C3)C)F

InChI

InChI=1S/C21H26FN5O3/c1-4-6-10-25-13-23-19-18(25)20(29)27(21(30)26(19)9-5-2)12-17(28)24-15-8-7-14(3)16(22)11-15/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,24,28)