diethyl 2-[9-(2-acetyloxyethoxymethyl)-1H-purin-6-ylidene]propanedioate

Systemtic Name: diethyl 2-[9-(2-acetyloxyethoxymethyl)-1H-purin-6-ylidene]propanedioate Openeye Name: diethyl 2-[9-(2-acetoxyethoxymethyl)-1H-purin-6-ylidene]propanedioate CAS Name: 2-[9-(2-acetyloxyethoxymethyl)-1H-purin-6-ylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[9-(2-acetyloxyethoxymethyl)-1H-purin-6-ylidene]propanedioate Traditional Name: 2-[9-(2-acetoxyethoxymethyl)-1H-purin-6-ylidene]malonic acid diethyl ester Formula: C17H22N4O7 MolecularWeight: 394.37918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O7/c1-4-26-16(23)12(17(24)27-5-2)13-14-15(19-8-18-13)21(9-20-14)10-25-6-7-28-11(3)22/h8-9H,4-7,10H2,1-3H3,(H,18,19)