[2-[2-(6-aminopurin-9-yl)ethanoyl-methyl-amino]ethoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [2-[2-(6-aminopurin-9-yl)ethanoyl-methyl-amino]ethoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [2-[[2-(6-aminopurin-9-yl)acetyl]-methyl-amino]ethoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [2-[[2-(6-aminopurin-9-yl)-1-oxoethyl]-methylamino]ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [2-[[2-(6-aminopurin-9-yl)acetyl]-methylamino]ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [2-[(2-adenin-9-ylacetyl)-methyl-amino]ethoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C10H17N6O11P3 MolecularWeight: 490.196863

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(=O)CN1C=NC2=C1N=CN=C2N

Isomeric SMILES

CN(CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(=O)CN1C=NC2=C1N=CN=C2N

InChI

InChI=1S/C10H17N6O11P3/c1-15(2-3-25-29(21,22)27-30(23,24)26-28(18,19)20)7(17)4-16-6-14-8-9(11)12-5-13-10(8)16/h5-6H,2-4H2,1H3,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)