[2-(acetyloxymethyl)-4-[2-azanyl-6-(trifluoromethyl)purin-7-yl]butyl] ethanoate

Systemtic Name: [2-(acetyloxymethyl)-4-[2-azanyl-6-(trifluoromethyl)purin-7-yl]butyl] ethanoate Openeye Name: [2-(acetoxymethyl)-4-[2-amino-6-(trifluoromethyl)purin-7-yl]butyl] acetate CAS Name: acetic acid [2-(acetyloxymethyl)-4-[2-amino-6-(trifluoromethyl)-7-purinyl]butyl] ester IUPAC Name: [2-(acetyloxymethyl)-4-[2-amino-6-(trifluoromethyl)purin-7-yl]butyl] acetate Traditional Name: acetic acid [2-(acetoxymethyl)-4-[2-amino-6-(trifluoromethyl)purin-7-yl]butyl] ester Formula: C15H18F3N5O4 MolecularWeight: 389.32973

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CCN1C=NC2=NC(=NC(=C21)C(F)(F)F)N)COC(=O)C

Isomeric SMILES

CC(=O)OCC(CCN1C=NC2=NC(=NC(=C21)C(F)(F)F)N)COC(=O)C

InChI

InChI=1S/C15H18F3N5O4/c1-8(24)26-5-10(6-27-9(2)25)3-4-23-7-20-13-11(23)12(15(16,17)18)21-14(19)22-13/h7,10H,3-6H2,1-2H3,(H2,19,21,22)