ethyl 2-cyano-2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-ylidene]hydrazinyl]ethanoate

Systemtic Name: ethyl 2-cyano-2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-ylidene]hydrazinyl]ethanoate Openeye Name: ethyl 2-cyano-2-[2-(1,3-dimethyl-2,6-dioxo-purin-8-ylidene)hydrazino]acetate CAS Name: 2-cyano-2-[2-(1,3-dimethyl-2,6-dioxo-8-purinylidene)hydrazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[2-(1,3-dimethyl-2,6-dioxopurin-8-ylidene)hydrazinyl]acetate Traditional Name: 2-cyano-2-[N'-(2,6-diketo-1,3-dimethyl-purin-8-ylidene)hydrazino]acetic acid ethyl ester Formula: C12H13N7O4 MolecularWeight: 319.27612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)NN=C1N=C2C(=N1)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCOC(=O)C(C#N)NN=C1N=C2C(=N1)N(C(=O)N(C2=O)C)C

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/h6,16H,4H2,1-3H3