[1-(6-aminopurin-9-yl)propan-2-yloxy-[oxidanyl(oxidanylidene)phosphaniumyl]oxy-phosphonoperoxy-methyl]-oxidanyl-oxidanylidene-phosphanium

Systemtic Name: [1-(6-aminopurin-9-yl)propan-2-yloxy-[oxidanyl(oxidanylidene)phosphaniumyl]oxy-phosphonoperoxy-methyl]-oxidanyl-oxidanylidene-phosphanium Openeye Name: [[2-(6-aminopurin-9-yl)-1-methyl-ethoxy]-[hydroxy(oxo)phosphaniumyl]oxy-phosphonoperoxy-methyl]-hydroxy-oxo-phosphonium CAS Name: [1-(6-aminopurin-9-yl)propan-2-yloxy-[hydroxy(oxo)phosphiniumyl]oxy-phosphonodioxymethyl]-hydroxy-oxophosphonium IUPAC Name: [1-(6-aminopurin-9-yl)propan-2-yloxy-[hydroxy(oxo)phosphaniumyl]oxy-phosphonoperoxymethyl]-hydroxy-oxophosphanium Traditional Name: [(2-adenin-9-yl-1-methyl-ethoxy)-[hydroxy(keto)phosphiniumyl]oxy-phosphonoperoxy-methyl]-hydroxy-keto-phosphonium Formula: C9H14N5O11P3+2 MolecularWeight: 461.155643

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=CN=C2N)OC(OOP(=O)(O)O)(O[P+](=O)O)[P+](=O)O

Isomeric SMILES

CC(CN1C=NC2=C1N=CN=C2N)OC(OOP(=O)(O)O)(O[P+](=O)O)[P+](=O)O

InChI

InChI=1S/C9H12N5O11P3/c1-5(2-14-4-13-6-7(10)11-3-12-8(6)14)22-9(26(15)16,24-27(17)18)23-25-28(19,20)21/h3-5H,2H2,1H3,(H4-2,10,11,12,15,16,17,18,19,20,21)/p+2