(2-azanyl-6-oxidanylidene-3H-purin-5-yl) phosphono hydrogen phosphate

Systemtic Name: (2-azanyl-6-oxidanylidene-3H-purin-5-yl) phosphono hydrogen phosphate Openeye Name: (2-amino-6-oxo-3H-purin-5-yl) phosphono hydrogen phosphate CAS Name: (2-amino-6-oxo-3H-purin-5-yl) phosphono hydrogen phosphate IUPAC Name: (2-amino-6-oxo-3H-purin-5-yl) phosphono hydrogen phosphate Traditional Name: (2-amino-6-keto-3H-purin-5-yl) phosphono hydrogen phosphate Formula: C5H7N5O8P2 MolecularWeight: 327.085302

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2(C(=N1)NC(=NC2=O)N)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=NC2(C(=N1)NC(=NC2=O)N)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C5H7N5O8P2/c6-4-9-2-5(3(11)10-4,8-1-7-2)17-20(15,16)18-19(12,13)14/h1H,(H,15,16)(H2,12,13,14)(H3,6,7,8,9,10,11)