6-[3,8-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]hexan-2-yl ethanoate; 2,2,2-tris(fluoranyl)-N-methyl-ethanamide

Systemtic Name: 6-[3,8-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]hexan-2-yl ethanoate; 2,2,2-tris(fluoranyl)-N-methyl-ethanamide Openeye Name: [5-(7-benzyl-3,8-dimethyl-2,6-dioxo-purin-1-yl)-1-methyl-pentyl] acetate; 2,2,2-trifluoro-N-methyl-acetamide CAS Name: acetic acid 6-[3,8-dimethyl-2,6-dioxo-7-(phenylmethyl)-1-purinyl]hexan-2-yl ester; 2,2,2-trifluoro-N-methylacetamide IUPAC Name: 6-(7-benzyl-3,8-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate; 2,2,2-trifluoro-N-methylacetamide Traditional Name: acetic acid [5-(7-benzyl-2,6-diketo-3,8-dimethyl-purin-1-yl)-1-methyl-pentyl] ester; 2,2,2-trifluoro-N-methyl-acetamide Formula: C25H32F3N5O5 MolecularWeight: 539.54729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CCCCC(C)OC(=O)C.CNC(=O)C(F)(F)F

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CCCCC(C)OC(=O)C.CNC(=O)C(F)(F)F

InChI

InChI=1S/C22H28N4O4.C3H4F3NO/c1-15(30-17(3)27)10-8-9-13-25-21(28)19-20(24(4)22(25)29)23-16(2)26(19)14-18-11-6-5-7-12-18;1-7-2(8)3(4,5)6/h5-7,11-12,15H,8-10,13-14H2,1-4H3;1H3,(H,7,8)