sodium 3-chloranyl-7H-purin-6-one hydrate

Systemtic Name: sodium 3-chloranyl-7H-purin-6-one hydrate Openeye Name: sodium 3-chloro-7H-purin-6-one hydrate CAS Name: sodium 3-chloro-7H-purin-6-one hydrate IUPAC Name: sodium 3-chloro-7H-purin-6-one hydrate Traditional Name: sodium 3-chloro-7H-purin-6-one hydrate Formula: C5H5ClN4NaO2+ MolecularWeight: 211.56157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=O)N=CN2Cl.O.[Na+]

Isomeric SMILES

C1=NC2=C(N1)C(=O)N=CN2Cl.O.[Na+]

InChI

InChI=1S/C5H3ClN4O.Na.H2O/c6-10-2-9-5(11)3-4(10)8-1-7-3;;/h1-2H,(H,7,8);;1H2/q;+1;