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

Systemtic Name: ethyl (2Z)-2-cyano-2-[9-(2-hydroxyethyloxymethyl)-1-methyl-purin-6-ylidene]ethanoate Openeye Name: ethyl (2Z)-2-cyano-2-[9-(2-hydroxyethoxymethyl)-1-methyl-purin-6-ylidene]acetate CAS Name: (2Z)-2-cyano-2-[9-(2-hydroxyethoxymethyl)-1-methyl-6-purinylidene]acetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-cyano-2-[9-(2-hydroxyethoxymethyl)-1-methylpurin-6-ylidene]acetate Traditional Name: (2Z)-2-cyano-2-[9-(2-hydroxyethoxymethyl)-1-methyl-purin-6-ylidene]acetic acid ethyl ester Formula: C14H17N5O4 MolecularWeight: 319.31588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O4/c1-3-23-14(21)10(6-15)12-11-13(17-7-18(12)2)19(8-16-11)9-22-5-4-20/h7-8,20H,3-5,9H2,1-2H3/b12-10-