2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one triphosphate

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one triphosphate Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one triphosphate CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one triphosphate IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one triphosphate Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one triphosphate Formula: C8H11N5O15P3-9 MolecularWeight: 510.118723

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCO)NC(=NC2=O)N.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1=NC2=C(N1COCCO)NC(=NC2=O)N.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C8H11N5O3.3H3O4P/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;3*1-5(2,3)4/h3,14H,1-2,4H2,(H3,9,11,12,15);3*(H3,1,2,3,4)/p-9