5-[2-chloranyl-6-(methylamino)purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-[2-chloranyl-6-(methylamino)purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 5-[2-chloro-6-(methylamino)purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 5-[2-chloro-6-(methylamino)-9-purinyl]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 5-[2-chloro-6-(methylamino)purin-9-yl]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-[2-chloro-6-(methylamino)purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C11H12ClN5O4 MolecularWeight: 313.69708

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3C(CC(O3)C(=O)O)O)Cl

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C3C(CC(O3)C(=O)O)O)Cl

InChI

InChI=1S/C11H12ClN5O4/c1-13-7-6-8(16-11(12)15-7)17(3-14-6)9-4(18)2-5(21-9)10(19)20/h3-5,9,18H,2H2,1H3,(H,19,20)(H,13,15,16)