disodium 9-(phosphonatomethoxymethoxymethyl)purin-6-amine

Systemtic Name: disodium 9-(phosphonatomethoxymethoxymethyl)purin-6-amine Openeye Name: disodium 9-(phosphonatomethoxymethoxymethyl)purin-6-amine CAS Name: disodium 9-(phosphonatomethoxymethoxymethyl)-6-purinamine IUPAC Name: disodium 9-(phosphonatomethoxymethoxymethyl)purin-6-amine Traditional Name: disodium [9-(phosphonatomethoxymethoxymethyl)purin-6-yl]amine Formula: C8H10N5Na2O5P MolecularWeight: 333.148801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2COCOCP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2COCOCP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C8H12N5O5P.2Na/c9-7-6-8(11-1-10-7)13(2-12-6)3-17-4-18-5-19(14,15)16;;/h1-2H,3-5H2,(H2,9,10,11)(H2,14,15,16);;/q;2*+1/p-2