2-[[6-(dicyanomethylidene)-1H-purin-9-yl]methoxy]ethyl ethanoate

Systemtic Name: 2-[[6-(dicyanomethylidene)-1H-purin-9-yl]methoxy]ethyl ethanoate Openeye Name: 2-[[6-(dicyanomethylene)-1H-purin-9-yl]methoxy]ethyl acetate CAS Name: acetic acid 2-[[6-(dicyanomethylidene)-1H-purin-9-yl]methoxy]ethyl ester IUPAC Name: 2-[[6-(dicyanomethylidene)-1H-purin-9-yl]methoxy]ethyl acetate Traditional Name: acetic acid 2-[[6-(dicyanomethylene)-1H-purin-9-yl]methoxy]ethyl ester Formula: C13H12N6O3 MolecularWeight: 300.27278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOCN1C=NC2=C1N=CNC2=C(C#N)C#N

Isomeric SMILES

CC(=O)OCCOCN1C=NC2=C1N=CNC2=C(C#N)C#N

InChI

InChI=1S/C13H12N6O3/c1-9(20)22-3-2-21-8-19-7-18-12-11(10(4-14)5-15)16-6-17-13(12)19/h6-7H,2-3,8H2,1H3,(H,16,17)