2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purine-6-thione hydrate

Systemtic Name: 2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purine-6-thione hydrate Openeye Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-6-thione hydrate CAS Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione hydrate IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione hydrate Traditional Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purine-6-thione hydrate Formula: C10H15N5O4S MolecularWeight: 301.3222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=S)N)CO)O.O

InChI

InChI=1S/C10H13N5O3S.H2O/c11-10-13-8-7(9(19)14-10)12-3-15(8)6-1-4(17)5(2-16)18-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,19);1H2/t4-,5+,6+;/m0./s1