methyl 5-[(6-azanylpurin-1-yl)methyl]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[(6-azanylpurin-1-yl)methyl]-2-fluoranyl-benzoate Openeye Name: methyl 5-[(6-aminopurin-1-yl)methyl]-2-fluoro-benzoate CAS Name: 5-[(6-amino-1-purinyl)methyl]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[(6-aminopurin-1-yl)methyl]-2-fluorobenzoate Traditional Name: 5-[(6-aminopurin-1-yl)methyl]-2-fluoro-benzoic acid methyl ester Formula: C14H12FN5O2 MolecularWeight: 301.275783

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)CN2C=NC3=NC=NC3=C2N)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)CN2C=NC3=NC=NC3=C2N)F

InChI

InChI=1S/C14H12FN5O2/c1-22-14(21)9-4-8(2-3-10(9)15)5-20-7-19-13-11(12(20)16)17-6-18-13/h2-4,6-7H,5,16H2,1H3