5-[2-methoxycarbonyl-6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolane-2-carboxylic acid

Systemtic Name: 5-[2-methoxycarbonyl-6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolane-2-carboxylic acid Openeye Name: 3,4-dihydroxy-5-[2-methoxycarbonyl-6-(methylamino)purin-9-yl]tetrahydrofuran-2-carboxylic acid CAS Name: 3,4-dihydroxy-5-[2-methoxycarbonyl-6-(methylamino)-9-purinyl]-2-oxolanecarboxylic acid IUPAC Name: 3,4-dihydroxy-5-[2-methoxycarbonyl-6-(methylamino)purin-9-yl]oxolane-2-carboxylic acid Traditional Name: 5-[2-carbomethoxy-6-(methylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxylic acid Formula: C13H15N5O7 MolecularWeight: 353.2875

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)C(=O)O)O)O)C(=O)OC

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)C(=O)O)O)O)C(=O)OC

InChI

InChI=1S/C13H15N5O7/c1-14-8-4-10(17-9(16-8)13(23)24-2)18(3-15-4)11-6(20)5(19)7(25-11)12(21)22/h3,5-7,11,19-20H,1-2H3,(H,21,22)(H,14,16,17)