2-azanyl-9-(2-hydroxyethyl)-3H-purin-6-one; ethyl dihydrogen phosphate

Systemtic Name: 2-azanyl-9-(2-hydroxyethyl)-3H-purin-6-one; ethyl dihydrogen phosphate Openeye Name: 2-amino-9-(2-hydroxyethyl)-3H-purin-6-one; ethyl dihydrogen phosphate CAS Name: 2-amino-9-(2-hydroxyethyl)-3H-purin-6-one; ethyl dihydrogen phosphate IUPAC Name: 2-amino-9-(2-hydroxyethyl)-3H-purin-6-one; ethyl dihydrogen phosphate Traditional Name: 2-amino-9-(2-hydroxyethyl)-3H-purin-6-one; ethyl dihydrogen phosphate Formula: C9H16N5O6P MolecularWeight: 321.227001

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(O)O.C1=NC2=C(N1CCO)NC(=NC2=O)N

Isomeric SMILES

CCOP(=O)(O)O.C1=NC2=C(N1CCO)NC(=NC2=O)N

InChI

InChI=1S/C7H9N5O2.C2H7O4P/c8-7-10-5-4(6(14)11-7)9-3-12(5)1-2-13;1-2-6-7(3,4)5/h3,13H,1-2H2,(H3,8,10,11,14);2H2,1H3,(H2,3,4,5)