[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C13H14N4O3 MolecularWeight: 274.27526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=NC=CN=C2

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)C2=NC=CN=C2

InChI

InChI=1S/C13H14N4O3/c1-13(8-14,9-2-3-9)17-11(18)7-20-12(19)10-6-15-4-5-16-10/h4-6,9H,2-3,7H2,1H3,(H,17,18)/t13-/m0/s1