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

Systemtic Name: 2-[7-butyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-1-yl]-N-[4-chloranyl-3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(7-butyl-3-isobutyl-2,6-dioxo-purin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[7-butyl-3-(2-methylpropyl)-2,6-dioxo-1-purinyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[7-butyl-3-(2-methylpropyl)-2,6-dioxopurin-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(7-butyl-3-isobutyl-2,6-diketo-purin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide Formula: C22H25ClF3N5O3 MolecularWeight: 499.91381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClF3N5O3/c1-4-5-8-29-12-27-19-18(29)20(33)31(21(34)30(19)10-13(2)3)11-17(32)28-14-6-7-16(23)15(9-14)22(24,25)26/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3,(H,28,32)