methyl 2-[3-[[6-azanyl-8-oxidanylidene-2-(trifluoromethyl)-7H-purin-9-yl]methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[6-azanyl-8-oxidanylidene-2-(trifluoromethyl)-7H-purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-8-oxo-2-(trifluoromethyl)-7H-purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-8-oxo-2-(trifluoromethyl)-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-8-oxo-2-(trifluoromethyl)-7H-purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-8-keto-2-(trifluoromethyl)-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C16H14F3N5O3 MolecularWeight: 381.30927

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)C(F)(F)F)N)NC2=O

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)C(F)(F)F)N)NC2=O

InChI

InChI=1S/C16H14F3N5O3/c1-27-10(25)6-8-3-2-4-9(5-8)7-24-13-11(21-15(24)26)12(20)22-14(23-13)16(17,18)19/h2-5H,6-7H2,1H3,(H,21,26)(H2,20,22,23)