2-azanyl-9-(2-hydroxyethyloxymethyl)-7,8-dihydro-3H-purin-6-one diphosphate

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-7,8-dihydro-3H-purin-6-one diphosphate Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-7,8-dihydro-3H-purin-6-one diphosphate CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-7,8-dihydro-3H-purin-6-one diphosphate IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-7,8-dihydro-3H-purin-6-one diphosphate Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-7,8-dihydro-3H-purin-6-one diphosphate Formula: C8H13N5O11P2-6 MolecularWeight: 417.163242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1COCCO)NC(=NC2=O)N.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1NC2=C(N1COCCO)NC(=NC2=O)N.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C8H13N5O3.2H3O4P/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;2*1-5(2,3)4/h10,14H,1-4H2,(H3,9,11,12,15);2*(H3,1,2,3,4)/p-6