sodium 2-chloranyl-3,7-dihydropurin-6-one hydrate

Systemtic Name: sodium 2-chloranyl-3,7-dihydropurin-6-one hydrate Openeye Name: sodium 2-chloro-3,7-dihydropurin-6-one hydrate CAS Name: sodium 2-chloro-3,7-dihydropurin-6-one hydrate IUPAC Name: sodium 2-chloro-3,7-dihydropurin-6-one hydrate Traditional Name: sodium 2-chloro-3,7-dihydropurin-6-one hydrate Formula: C5H5ClN4NaO2+ MolecularWeight: 211.56157

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=O)N=C(N2)Cl.O.[Na+]

Isomeric SMILES

C1=NC2=C(N1)C(=O)N=C(N2)Cl.O.[Na+]

InChI

InChI=1S/C5H3ClN4O.Na.H2O/c6-5-9-3-2(4(11)10-5)7-1-8-3;;/h1H,(H2,7,8,9,10,11);;1H2/q;+1;