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

Systemtic Name: azanium 2-azanyl-9-(2-hydroxyethyloxymethyl)-7,8-dihydro-3H-purin-6-one phosphate Openeye Name: ammonium 2-amino-9-(2-hydroxyethoxymethyl)-7,8-dihydro-3H-purin-6-one phosphate CAS Name: ammonium 2-amino-9-(2-hydroxyethoxymethyl)-7,8-dihydro-3H-purin-6-one phosphate IUPAC Name: azanium 2-amino-9-(2-hydroxyethoxymethyl)-7,8-dihydro-3H-purin-6-one phosphate Traditional Name: ammonium 2-amino-9-(2-hydroxyethoxymethyl)-7,8-dihydro-3H-purin-6-one phosphate Formula: C8H17N6O7P-2 MolecularWeight: 340.230341

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1COCCO)NC(=NC2=O)N.[NH4+].[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1NC2=C(N1COCCO)NC(=NC2=O)N.[NH4+].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C8H13N5O3.H3N.H3O4P/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;;1-5(2,3)4/h10,14H,1-4H2,(H3,9,11,12,15);1H3;(H3,1,2,3,4)/p-2