2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethyl phosphono hydrogen phosphate

Systemtic Name: 2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethyl phosphono hydrogen phosphate Openeye Name: 2-(2-amino-6-oxo-3H-purin-9-yl)ethyl phosphono hydrogen phosphate CAS Name: 2-(2-amino-6-oxo-3H-purin-9-yl)ethyl phosphono hydrogen phosphate IUPAC Name: 2-(2-amino-6-oxo-3H-purin-9-yl)ethyl phosphono hydrogen phosphate Traditional Name: 2-(2-amino-6-keto-3H-purin-9-yl)ethyl phosphono hydrogen phosphate Formula: C7H11N5O8P2 MolecularWeight: 355.138462

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCOP(=O)(O)OP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCOP(=O)(O)OP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C7H11N5O8P2/c8-7-10-5-4(6(13)11-7)9-3-12(5)1-2-19-22(17,18)20-21(14,15)16/h3H,1-2H2,(H,17,18)(H2,14,15,16)(H3,8,10,11,13)