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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C1O)N2C=NC3=C2NC(=NC3=S)N)CO.O

Isomeric SMILES

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

InChI

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