2-(2-azanyl-7-methyl-6-sulfanylidene-3H-purin-9-ium-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-olate

Systemtic Name: 2-(2-azanyl-7-methyl-6-sulfanylidene-3H-purin-9-ium-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-olate Openeye Name: 2-(2-amino-7-methyl-6-thioxo-3H-purin-9-ium-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-olate CAS Name: 2-(2-amino-7-methyl-6-sulfanylidene-3H-purin-9-ium-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanolate IUPAC Name: 2-(2-amino-7-methyl-6-sulfanylidene-3H-purin-9-ium-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-olate Traditional Name: 2-(2-amino-7-methyl-6-thioxo-3H-purin-9-ium-9-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-olate Formula: C11H15N5O4S MolecularWeight: 313.3329

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1C(=S)N=C(N2)N)C3C(C(C(O3)CO)O)[O-]

Isomeric SMILES

CN1C=[N+](C2=C1C(=S)N=C(N2)N)C3C(C(C(O3)CO)O)[O-]

InChI

InChI=1S/C11H15N5O4S/c1-15-3-16(8-5(15)9(21)14-11(12)13-8)10-7(19)6(18)4(2-17)20-10/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,13,14,21)