diazanium 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethyl phosphate

Systemtic Name: diazanium 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethyl phosphate Openeye Name: diammonium 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)ethyl phosphate CAS Name: diammonium 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)ethyl phosphate IUPAC Name: diazanium 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)ethyl phosphate Traditional Name: diammonium 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)ethyl phosphate Formula: C9H19N6O6P MolecularWeight: 338.257521

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCOP(=O)([O-])[O-].[NH4+].[NH4+]

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCOP(=O)([O-])[O-].[NH4+].[NH4+]

InChI

InChI=1S/C9H13N4O6P.2H3N/c1-11-5-10-7-6(11)8(14)13(9(15)12(7)2)3-4-19-20(16,17)18;;/h5H,3-4H2,1-2H3,(H2,16,17,18);2*1H3