[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1=NC=CN=C1

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)C1=NC=CN=C1

InChI

InChI=1S/C12H16N4O4/c1-3-8(2)15-12(19)16-10(17)7-20-11(18)9-6-13-4-5-14-9/h4-6,8H,3,7H2,1-2H3,(H2,15,16,17,19)/t8-/m0/s1