(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl phosphono hydrogen phosphate

Systemtic Name: (2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl phosphono hydrogen phosphate Openeye Name: (2-amino-4-oxo-1H-pteridin-6-yl)methyl phosphono hydrogen phosphate CAS Name: (2-amino-4-oxo-1H-pteridin-6-yl)methyl phosphono hydrogen phosphate IUPAC Name: (2-amino-4-oxo-1H-pteridin-6-yl)methyl phosphono hydrogen phosphate Traditional Name: (2-amino-4-keto-1H-pteridin-6-yl)methyl phosphono hydrogen phosphate Formula: C7H9N5O8P2 MolecularWeight: 353.122582

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C2C(=N1)NC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=C(N=C2C(=N1)NC(=NC2=O)N)COP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C7H9N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1H,2H2,(H,17,18)(H2,14,15,16)(H3,8,9,11,12,13)