[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 5-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 5-chloranyl-2-fluoranyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 5-chloro-2-fluoro-benzoate CAS Name: 5-chloro-2-fluorobenzoic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 5-chloro-2-fluorobenzoate Traditional Name: 5-chloro-2-fluoro-benzoic acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C15H11ClFN5O3 MolecularWeight: 363.730943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=C(C=CC(=C3)Cl)F

Isomeric SMILES

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C15H11ClFN5O3/c1-7(25-15(24)9-4-8(16)2-3-10(9)17)14(23)22-13-11-12(19-5-18-11)20-6-21-13/h2-7H,1H3,(H2,18,19,20,21,22,23)