2-[7-butyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[7-butyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-(7-butyl-3-isobutyl-2,6-dioxo-purin-1-yl)-N-(3-fluorophenyl)acetamide CAS Name: 2-[7-butyl-3-(2-methylpropyl)-2,6-dioxo-1-purinyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[7-butyl-3-(2-methylpropyl)-2,6-dioxopurin-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-(7-butyl-3-isobutyl-2,6-diketo-purin-1-yl)-N-(3-fluorophenyl)acetamide Formula: C21H26FN5O3 MolecularWeight: 415.461243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H26FN5O3/c1-4-5-9-25-13-23-19-18(25)20(29)27(21(30)26(19)11-14(2)3)12-17(28)24-16-8-6-7-15(22)10-16/h6-8,10,13-14H,4-5,9,11-12H2,1-3H3,(H,24,28)