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

Systemtic Name: 2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5H-purin-6-one hydrate Openeye Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5H-purin-6-one hydrate CAS Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5H-purin-6-one hydrate IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-purin-6-one hydrate Traditional Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5H-purin-6-one hydrate Formula: C10H15N5O5 MolecularWeight: 285.2566

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3C2=NC(=NC3=O)N)CO)O.O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3C2=NC(=NC3=O)N)CO)O.O

InChI

InChI=1S/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-7,16-17H,1-2H2,(H2,11,14,18);1H2/t4-,5+,6+,7?;/m0./s1