[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=NC=CN=C2N

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=NC=CN=C2N

InChI

InChI=1S/C16H18N4O3S/c17-15-14(19-8-9-20-15)16(22)23-11-13(21)18-7-4-10-24-12-5-2-1-3-6-12/h1-3,5-6,8-9H,4,7,10-11H2,(H2,17,20)(H,18,21)