ethyl (2Z)-2-cyano-2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]hydrazinylidene]ethanoate

Systemtic Name: ethyl (2Z)-2-cyano-2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]hydrazinylidene]ethanoate Openeye Name: ethyl (2Z)-2-cyano-2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)hydrazono]acetate CAS Name: (2Z)-2-cyano-2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)hydrazinylidene]acetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-cyano-2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)hydrazinylidene]acetate Traditional Name: (2Z)-2-cyano-2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)hydrazono]acetic acid ethyl ester Formula: C12H13N7O4 MolecularWeight: 319.27612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NNC1=NC2=C(N1)C(=O)N(C(=O)N2C)C)C#N

Isomeric SMILES

CCOC(=O)/C(=N\NC1=NC2=C(N1)C(=O)N(C(=O)N2C)C)/C#N

InChI

InChI=1S/C12H13N7O4/c1-4-23-10(21)6(5-13)16-17-11-14-7-8(15-11)18(2)12(22)19(3)9(7)20/h4H2,1-3H3,(H2,14,15,17)/b16-6-