disodium 9-[2-azanyl-3-(phosphonatomethoxy)propyl]purin-6-amine

Systemtic Name: disodium 9-[2-azanyl-3-(phosphonatomethoxy)propyl]purin-6-amine Openeye Name: disodium 9-[2-amino-3-(phosphonatomethoxy)propyl]purin-6-amine CAS Name: disodium 9-[2-amino-3-(phosphonatomethoxy)propyl]-6-purinamine IUPAC Name: disodium 9-[2-amino-3-(phosphonatomethoxy)propyl]purin-6-amine Traditional Name: disodium [1-(adenin-9-ylmethyl)-2-(phosphonatomethoxy)ethyl]amine Formula: C9H13N6Na2O4P MolecularWeight: 346.190621

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CC(COCP(=O)([O-])[O-])N.[Na+].[Na+]

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CC(COCP(=O)([O-])[O-])N.[Na+].[Na+]

InChI

InChI=1S/C9H15N6O4P.2Na/c10-6(2-19-5-20(16,17)18)1-15-4-14-7-8(11)12-3-13-9(7)15;;/h3-4,6H,1-2,5,10H2,(H2,11,12,13)(H2,16,17,18);;/q;2*+1/p-2