2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-6-thione; ethanoic acid

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-6-thione; ethanoic acid Openeye Name: acetic acid; 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-6-thione CAS Name: acetic acid; 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione IUPAC Name: acetic acid; 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione Traditional Name: acetic acid; 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purine-6-thione Formula: C16H25N5O10S MolecularWeight: 479.4622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N5O4S.3C2H4O2/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9;3*1-2(3)4/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20);3*1H3,(H,3,4)