[1-oxidanylidene-1-(phenethylamino)propan-2-yl] pyrazine-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] pyrazine-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=NC=CN=C2

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=NC=CN=C2

InChI

InChI=1S/C16H17N3O3/c1-12(22-16(21)14-11-17-9-10-18-14)15(20)19-8-7-13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3,(H,19,20)