sodium 2-azanyl-9-(2-hydroxyethyloxymethyl)purin-6-olate dihydrate

Systemtic Name: sodium 2-azanyl-9-(2-hydroxyethyloxymethyl)purin-6-olate dihydrate Openeye Name: sodium 2-amino-9-(2-hydroxyethoxymethyl)purin-6-olate dihydrate CAS Name: sodium 2-amino-9-(2-hydroxyethoxymethyl)-6-purinolate dihydrate IUPAC Name: sodium 2-amino-9-(2-hydroxyethoxymethyl)purin-6-olate dihydrate Traditional Name: sodium 2-amino-9-(2-hydroxyethoxymethyl)purin-6-olate dihydrate Formula: C8H14N5NaO5 MolecularWeight: 283.21703

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCO)N=C(N=C2[O-])N.O.O.[Na+]

Isomeric SMILES

C1=NC2=C(N1COCCO)N=C(N=C2[O-])N.O.O.[Na+]

InChI

InChI=1S/C8H11N5O3.Na.2H2O/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;;;/h3,14H,1-2,4H2,(H3,9,11,12,15);;2*1H2/q;+1;;/p-1