[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-oxidanyl-methanesulfonic acid

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-oxidanyl-methanesulfonic acid Openeye Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-hydroxy-methanesulfonic acid CAS Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]-hydroxymethanesulfonic acid IUPAC Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-hydroxymethanesulfonic acid Traditional Name: (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)-hydroxy-methanesulfonic acid Formula: C10H13N5O7S MolecularWeight: 347.30452

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(O)S(=O)(=O)O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(O)S(=O)(=O)O)O)O

InChI

InChI=1S/C10H13N5O7S/c11-7-3-8(13-1-12-7)15(2-14-3)9-5(17)4(16)6(22-9)10(18)23(19,20)21/h1-2,4-6,9-10,16-18H,(H2,11,12,13)(H,19,20,21)