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

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-3-methoxysulfonothioyl-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-3-methoxysulfonothioyl-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-3-methoxysulfonothioyl-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-3-methoxysulfonothioyloxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-(4-hydroxy-3-methoxysulfonothioyl-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one Formula: C11H15N5O6S2 MolecularWeight: 377.3967

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=S)C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O

Isomeric SMILES

COS(=O)(=S)C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O

InChI

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