8-azanylpurine-2,6-dione hydrate

Systemtic Name: 8-azanylpurine-2,6-dione hydrate Openeye Name: 8-aminopurine-2,6-dione hydrate CAS Name: 8-aminopurine-2,6-dione hydrate IUPAC Name: 8-aminopurine-2,6-dione hydrate Traditional Name: 8-aminoxanthine hydrate Formula: C5H5N5O3 MolecularWeight: 183.1249

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Descriptors Computed from Structure

Canonical SMILES:

C12=NC(=NC1=NC(=O)NC2=O)N.O

Isomeric SMILES

C12=NC(=NC1=NC(=O)NC2=O)N.O

InChI

InChI=1S/C5H3N5O2.H2O/c6-4-7-1-2(8-4)9-5(12)10-3(1)11;/h(H3,6,8,9,10,11,12);1H2