2-[7-butyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide

Systemtic Name: 2-[7-butyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide Openeye Name: 2-(3-benzyl-7-butyl-2,6-dioxo-purin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide CAS Name: 2-[7-butyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-(2,2,2-trifluoroethyl)acetamide IUPAC Name: 2-(3-benzyl-7-butyl-2,6-dioxopurin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide Traditional Name: 2-(3-benzyl-7-butyl-2,6-diketo-purin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide Formula: C20H22F3N5O3 MolecularWeight: 437.41559

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCC(F)(F)F

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCC(F)(F)F

InChI

InChI=1S/C20H22F3N5O3/c1-2-3-9-26-13-25-17-16(26)18(30)28(11-15(29)24-12-20(21,22)23)19(31)27(17)10-14-7-5-4-6-8-14/h4-8,13H,2-3,9-12H2,1H3,(H,24,29)