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

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-3-(methoxysulfonothioylmethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-3-(methoxysulfonothioylmethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-3-(methoxysulfonothioylmethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-3-(methoxysulfonothioylmethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[4-hydroxy-3-(methoxysulfonothioylmethyl)-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C12H17N5O6S2 MolecularWeight: 391.42328

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=S)CC1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O

Isomeric SMILES

COS(=O)(=S)CC1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O

InChI

InChI=1S/C12H17N5O6S2/c1-22-25(21,24)3-5-8(19)6(2-18)23-11(5)17-4-14-7-9(17)15-12(13)16-10(7)20/h4-6,8,11,18-19H,2-3H2,1H3,(H3,13,15,16,20)