4-(2-azanyl-6-chloranyl-purin-9-yl)-2-fluoranyl-butanoic acid

Systemtic Name: 4-(2-azanyl-6-chloranyl-purin-9-yl)-2-fluoranyl-butanoic acid Openeye Name: 4-(2-amino-6-chloro-purin-9-yl)-2-fluoro-butanoic acid CAS Name: 4-(2-amino-6-chloro-9-purinyl)-2-fluorobutanoic acid IUPAC Name: 4-(2-amino-6-chloropurin-9-yl)-2-fluorobutanoic acid Traditional Name: 4-(2-amino-6-chloro-purin-9-yl)-2-fluoro-butyric acid Formula: C9H9ClFN5O2 MolecularWeight: 273.651463

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC(C(=O)O)F)N=C(N=C2Cl)N

Isomeric SMILES

C1=NC2=C(N1CCC(C(=O)O)F)N=C(N=C2Cl)N

InChI

InChI=1S/C9H9ClFN5O2/c10-6-5-7(15-9(12)14-6)16(3-13-5)2-1-4(11)8(17)18/h3-4H,1-2H2,(H,17,18)(H2,12,14,15)