[2-[1-(2-azanyl-6-oxidanylidene-5H-purin-9-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-propyl] phosphono hydrogen phosphate

Systemtic Name: [2-[1-(2-azanyl-6-oxidanylidene-5H-purin-9-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-propyl] phosphono hydrogen phosphate Openeye Name: [2-[1-(2-amino-6-oxo-5H-purin-9-yl)-2-oxo-ethoxy]-3-oxo-propyl] phosphono hydrogen phosphate CAS Name: [2-[1-(2-amino-6-oxo-5H-purin-9-yl)-2-oxoethoxy]-3-oxopropyl] phosphono hydrogen phosphate IUPAC Name: [2-[1-(2-amino-6-oxo-5H-purin-9-yl)-2-oxoethoxy]-3-oxopropyl] phosphono hydrogen phosphate Traditional Name: [2-[1-(2-amino-6-keto-5H-purin-9-yl)-2-keto-ethoxy]-3-keto-propyl] phosphono hydrogen phosphate Formula: C10H13N5O11P2 MolecularWeight: 441.184642

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2C(=NC(=NC2=O)N)N1C(C=O)OC(COP(=O)(O)OP(=O)(O)O)C=O

Isomeric SMILES

C1=NC2C(=NC(=NC2=O)N)N1C(C=O)OC(COP(=O)(O)OP(=O)(O)O)C=O

InChI

InChI=1S/C10H13N5O11P2/c11-10-13-8-7(9(18)14-10)12-4-15(8)6(2-17)25-5(1-16)3-24-28(22,23)26-27(19,20)21/h1-2,4-7H,3H2,(H,22,23)(H2,11,14,18)(H2,19,20,21)