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

Systemtic Name: 3-azanyl-5-[2-chloranyl-6-(methylamino)purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-amino-5-[2-chloro-6-(methylamino)purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-amino-5-[2-chloro-6-(methylamino)-9-purinyl]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-amino-5-[2-chloro-6-(methylamino)purin-9-yl]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 3-amino-5-[2-chloro-6-(methylamino)purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C11H13ClN6O4 MolecularWeight: 328.71172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN6O4/c1-14-7-4-8(17-11(12)16-7)18(2-15-4)9-5(19)3(13)6(22-9)10(20)21/h2-3,5-6,9,19H,13H2,1H3,(H,20,21)(H,14,16,17)