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

Systemtic Name: 4-(2-azanyl-6-chloranyl-purin-9-yl)-2-oxidanyl-butanoic acid Openeye Name: 4-(2-amino-6-chloro-purin-9-yl)-2-hydroxy-butanoic acid CAS Name: 4-(2-amino-6-chloro-9-purinyl)-2-hydroxybutanoic acid IUPAC Name: 4-(2-amino-6-chloropurin-9-yl)-2-hydroxybutanoic acid Traditional Name: 4-(2-amino-6-chloro-purin-9-yl)-2-hydroxy-butyric acid Formula: C9H10ClN5O3 MolecularWeight: 271.6604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10ClN5O3/c10-6-5-7(14-9(11)13-6)15(3-12-5)2-1-4(16)8(17)18/h3-4,16H,1-2H2,(H,17,18)(H2,11,13,14)