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

Systemtic Name: ethyl (2Z)-2-cyano-2-[9-(2-hydroxyethyloxymethyl)-1H-purin-6-ylidene]ethanoate Openeye Name: ethyl (2Z)-2-cyano-2-[9-(2-hydroxyethoxymethyl)-1H-purin-6-ylidene]acetate CAS Name: (2Z)-2-cyano-2-[9-(2-hydroxyethoxymethyl)-1H-purin-6-ylidene]acetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-cyano-2-[9-(2-hydroxyethoxymethyl)-1H-purin-6-ylidene]acetate Traditional Name: (2Z)-2-cyano-2-[9-(2-hydroxyethoxymethyl)-1H-purin-6-ylidene]acetic acid ethyl ester Formula: C13H15N5O4 MolecularWeight: 305.2893

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O4/c1-2-22-13(20)9(5-14)10-11-12(16-6-15-10)18(7-17-11)8-21-4-3-19/h6-7,19H,2-4,8H2,1H3,(H,15,16)/b10-9-