[2-(butylamino)-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CN=C(C=N1)C

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CN=C(C=N1)C

InChI

InChI=1S/C12H17N3O3/c1-3-4-5-13-11(16)8-18-12(17)10-7-14-9(2)6-15-10/h6-7H,3-5,8H2,1-2H3,(H,13,16)