[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 5-methylpyrazine-2-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C12H12N4O3 MolecularWeight: 260.24868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C12H12N4O3/c1-7-4-16-10(5-15-7)12(18)19-6-11(17)9(3-13)8(2)14/h4-5,9,14H,6H2,1-2H3/t9-/m0/s1