[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[3-(N-methylanilino)propylamino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-keto-2-[3-(N-methylanilino)propylamino]ethyl] ester Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)COC(=O)C1=NC=CN=C1)C2=CC=CC=C2

Isomeric SMILES

CN(CCCNC(=O)COC(=O)C1=NC=CN=C1)C2=CC=CC=C2

InChI

InChI=1S/C17H20N4O3/c1-21(14-6-3-2-4-7-14)11-5-8-20-16(22)13-24-17(23)15-12-18-9-10-19-15/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,20,22)