[2-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] methanesulfonate

Systemtic Name: [2-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] methanesulfonate Openeye Name: [2-(2-amino-6-thioxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] methanesulfonate CAS Name: methanesulfonic acid [2-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [2-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-(2-amino-6-thioxo-3H-purin-9-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] ester Formula: C11H15N5O6S2 MolecularWeight: 377.3967

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1C(C(OC1N2C=NC3=C2NC(=NC3=S)N)CO)O

Isomeric SMILES

CS(=O)(=O)OC1C(C(OC1N2C=NC3=C2NC(=NC3=S)N)CO)O

InChI

InChI=1S/C11H15N5O6S2/c1-24(19,20)22-7-6(18)4(2-17)21-10(7)16-3-13-5-8(16)14-11(12)15-9(5)23/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,23)