ethyl (2Z)-2-[9-(2-acetyloxyethoxymethyl)-1H-purin-6-ylidene]-2-cyano-ethanoate

Systemtic Name: ethyl (2Z)-2-[9-(2-acetyloxyethoxymethyl)-1H-purin-6-ylidene]-2-cyano-ethanoate Openeye Name: ethyl (2Z)-2-[9-(2-acetoxyethoxymethyl)-1H-purin-6-ylidene]-2-cyano-acetate CAS Name: (2Z)-2-[9-(2-acetyloxyethoxymethyl)-1H-purin-6-ylidene]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[9-(2-acetyloxyethoxymethyl)-1H-purin-6-ylidene]-2-cyanoacetate Traditional Name: (2Z)-2-[9-(2-acetoxyethoxymethyl)-1H-purin-6-ylidene]-2-cyano-acetic acid ethyl ester Formula: C15H17N5O5 MolecularWeight: 347.32598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C2=C(N=CN1)N(C=N2)COCCOC(=O)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C\1/C2=C(N=CN1)N(C=N2)COCCOC(=O)C)/C#N

InChI

InChI=1S/C15H17N5O5/c1-3-24-15(22)11(6-16)12-13-14(18-7-17-12)20(8-19-13)9-23-4-5-25-10(2)21/h7-8H,3-5,9H2,1-2H3,(H,17,18)/b12-11-