methyl 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]benzoate

Systemtic Name: methyl 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]benzoate Openeye Name: methyl 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]benzoate CAS Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)-9-purinyl]benzoic acid methyl ester IUPAC Name: methyl 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]benzoate Traditional Name: 3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]benzoic acid methyl ester Formula: C17H14F3N5O2 MolecularWeight: 377.32057

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N2C=NC3=C2N=C(N=C3NC4CC4)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N2C=NC3=C2N=C(N=C3NC4CC4)C(F)(F)F

InChI

InChI=1S/C17H14F3N5O2/c1-27-15(26)9-3-2-4-11(7-9)25-8-21-12-13(22-10-5-6-10)23-16(17(18,19)20)24-14(12)25/h2-4,7-8,10H,5-6H2,1H3,(H,22,23,24)