2-azanyl-6-(hydroxymethyl)-7,8-dihydro-1H-pteridin-4-one diphosphate

Systemtic Name: 2-azanyl-6-(hydroxymethyl)-7,8-dihydro-1H-pteridin-4-one diphosphate Openeye Name: 2-amino-6-(hydroxymethyl)-7,8-dihydro-1H-pteridin-4-one diphosphate CAS Name: 2-amino-6-(hydroxymethyl)-7,8-dihydro-1H-pteridin-4-one diphosphate IUPAC Name: 2-amino-6-(hydroxymethyl)-7,8-dihydro-1H-pteridin-4-one diphosphate Traditional Name: 2-amino-6-methylol-7,8-dihydro-1H-pteridin-4-one diphosphate Formula: C7H9N5O10P2-6 MolecularWeight: 385.121382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(N1)NC(=NC2=O)N)CO.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1C(=NC2=C(N1)NC(=NC2=O)N)CO.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C7H9N5O2.2H3O4P/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5;2*1-5(2,3)4/h13H,1-2H2,(H4,8,9,11,12,14);2*(H3,1,2,3,4)/p-6