5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carbothioic S-acid

Systemtic Name: 5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carbothioic S-acid Openeye Name: 5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carbothioic S-acid CAS Name: 5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanecarbothioic S-acid IUPAC Name: 5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolane-2-carbothioic S-acid Traditional Name: 5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carbothioic S-acid Formula: C10H11N5O5S MolecularWeight: 313.28984

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)C(=O)S)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)C(=O)S)O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H11N5O5S/c11-10-13-6-2(7(18)14-10)12-1-15(6)8-4(17)3(16)5(20-8)9(19)21/h1,3-5,8,16-17H,(H,19,21)(H3,11,13,14,18)