tetrasodium 9-[3-(phosphonatomethoxy)-2-(phosphonatomethoxymethyl)propyl]purine-2,6-diamine

Systemtic Name: tetrasodium 9-[3-(phosphonatomethoxy)-2-(phosphonatomethoxymethyl)propyl]purine-2,6-diamine Openeye Name: tetrasodium 9-[3-(phosphonatomethoxy)-2-(phosphonatomethoxymethyl)propyl]purine-2,6-diamine CAS Name: tetrasodium 9-[3-(phosphonatomethoxy)-2-(phosphonatomethoxymethyl)propyl]purine-2,6-diamine IUPAC Name: tetrasodium 9-[3-(phosphonatomethoxy)-2-(phosphonatomethoxymethyl)propyl]purine-2,6-diamine Traditional Name: tetrasodium [2-amino-9-[3-(phosphonatomethoxy)-2-(phosphonatomethoxymethyl)propyl]purin-6-yl]amine Formula: C11H16N6Na4O8P2 MolecularWeight: 514.186742

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(COCP(=O)([O-])[O-])COCP(=O)([O-])[O-])N=C(N=C2N)N.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=NC2=C(N1CC(COCP(=O)([O-])[O-])COCP(=O)([O-])[O-])N=C(N=C2N)N.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C11H20N6O8P2.4Na/c12-9-8-10(16-11(13)15-9)17(4-14-8)1-7(2-24-5-26(18,19)20)3-25-6-27(21,22)23;;;;/h4,7H,1-3,5-6H2,(H2,18,19,20)(H2,21,22,23)(H4,12,13,15,16);;;;/q;4*+1/p-4