9-(ethoxymethyl)purin-6-amine; phosphenous acid; diphosphate

Systemtic Name: 9-(ethoxymethyl)purin-6-amine; phosphenous acid; diphosphate Openeye Name: 9-(ethoxymethyl)purin-6-amine; phosphenous acid; diphosphate CAS Name: 9-(ethoxymethyl)-6-purinamine; phosphenous acid; diphosphate IUPAC Name: 9-(ethoxymethyl)purin-6-amine; phosphenous acid; diphosphate Traditional Name: [9-(ethoxymethyl)purin-6-yl]amine; phosphenous acid; diphosphate Formula: C8H12N5O11P3-6 MolecularWeight: 447.129063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C=NC2=C1N=CN=C2N.OP=O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCOCN1C=NC2=C1N=CN=C2N.OP=O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C8H11N5O.2H3O4P.HO2P/c1-2-14-5-13-4-12-6-7(9)10-3-11-8(6)13;2*1-5(2,3)4;1-3-2/h3-4H,2,5H2,1H3,(H2,9,10,11);2*(H3,1,2,3,4);(H,1,2)/p-6