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

Systemtic Name: ethyl (2Z)-2-cyano-2-[9-(methoxymethyl)-1H-purin-6-ylidene]ethanoate Openeye Name: ethyl (2Z)-2-cyano-2-[9-(methoxymethyl)-1H-purin-6-ylidene]acetate CAS Name: (2Z)-2-cyano-2-[9-(methoxymethyl)-1H-purin-6-ylidene]acetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-cyano-2-[9-(methoxymethyl)-1H-purin-6-ylidene]acetate Traditional Name: (2Z)-2-cyano-2-[9-(methoxymethyl)-1H-purin-6-ylidene]acetic acid ethyl ester Formula: C12H13N5O3 MolecularWeight: 275.26332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O3/c1-3-20-12(18)8(4-13)9-10-11(15-5-14-9)17(6-16-10)7-19-2/h5-6H,3,7H2,1-2H3,(H,14,15)/b9-8-