2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethoxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid

Systemtic Name: 2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethoxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid Openeye Name: 2-(2-amino-6-oxo-3H-purin-9-yl)ethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid CAS Name: 2-(2-amino-6-oxo-3H-purin-9-yl)ethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid IUPAC Name: 2-(2-amino-6-oxo-3H-purin-9-yl)ethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid Traditional Name: 2-(2-amino-6-keto-3H-purin-9-yl)ethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid Formula: C8H14N5O11P3 MolecularWeight: 449.144943

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C8H14N5O11P3/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-22-4-25(15,16)23-27(20,21)24-26(17,18)19/h3H,1-2,4H2,(H,15,16)(H,20,21)(H2,17,18,19)(H3,9,11,12,14)