9-methylpurin-6-amine; oxidanyl-oxidanylidene-phosphonooxy-phosphanium; phosphoric acid

Systemtic Name: 9-methylpurin-6-amine; oxidanyl-oxidanylidene-phosphonooxy-phosphanium; phosphoric acid Openeye Name: hydroxy-oxo-phosphonooxy-phosphonium; 9-methylpurin-6-amine; phosphoric acid CAS Name: hydroxy-oxo-phosphonooxyphosphonium; 9-methyl-6-purinamine; phosphoric acid IUPAC Name: hydroxy-oxo-phosphonooxyphosphanium; 9-methylpurin-6-amine; phosphoric acid Traditional Name: hydroxy-keto-phosphonooxy-phosphonium; (9-methylpurin-6-yl)amine; phosphoric acid Formula: C6H13N5O10P3+ MolecularWeight: 408.116203

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=CN=C2N.O[P+](=O)OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

CN1C=NC2=C1N=CN=C2N.O[P+](=O)OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C6H7N5.H2O6P2.H3O4P/c1-11-3-10-4-5(7)8-2-9-6(4)11;1-7(2)6-8(3,4)5;1-5(2,3)4/h2-3H,1H3,(H2,7,8,9);(H2-,1,2,3,4,5);(H3,1,2,3,4)/p+1