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

Systemtic Name: ethyl (2Z)-2-[9-(2-acetyloxyethoxymethyl)-1-methyl-purin-6-ylidene]-2-cyano-ethanoate Openeye Name: ethyl (2Z)-2-[9-(2-acetoxyethoxymethyl)-1-methyl-purin-6-ylidene]-2-cyano-acetate CAS Name: (2Z)-2-[9-(2-acetyloxyethoxymethyl)-1-methyl-6-purinylidene]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[9-(2-acetyloxyethoxymethyl)-1-methylpurin-6-ylidene]-2-cyanoacetate Traditional Name: (2Z)-2-[9-(2-acetoxyethoxymethyl)-1-methyl-purin-6-ylidene]-2-cyano-acetic acid ethyl ester Formula: C16H19N5O5 MolecularWeight: 361.35256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C2=C(N=CN1C)N(C=N2)COCCOC(=O)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C\1/C2=C(N=CN1C)N(C=N2)COCCOC(=O)C)/C#N

InChI

InChI=1S/C16H19N5O5/c1-4-25-16(23)12(7-17)14-13-15(19-8-20(14)3)21(9-18-13)10-24-5-6-26-11(2)22/h8-9H,4-6,10H2,1-3H3/b14-12-