2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl phosphate; propane-1,2,3-triol

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl phosphate; propane-1,2,3-triol Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl phosphate; glycerol CAS Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl phosphate; propane-1,2,3-triol IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl phosphate; propane-1,2,3-triol Traditional Name: 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl phosphate; glycerol Formula: C11H18N5O9P-2 MolecularWeight: 395.262481

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCCOP(=O)([O-])[O-])NC(=NC2=O)N.C(C(CO)O)O

Isomeric SMILES

C1=NC2=C(N1COCCOP(=O)([O-])[O-])NC(=NC2=O)N.C(C(CO)O)O

InChI

InChI=1S/C8H12N5O6P.C3H8O3/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-18-1-2-19-20(15,16)17;4-1-3(6)2-5/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14);3-6H,1-2H2/p-2