[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate CAS Name: 2-[methyl(2-pyrimidinyl)amino]acetic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate Traditional Name: 2-[methyl(2-pyrimidyl)amino]acetic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)NCCCSC1=CC=CC=C1)C2=NC=CC=N2

Isomeric SMILES

CN(CC(=O)OCC(=O)NCCCSC1=CC=CC=C1)C2=NC=CC=N2

InChI

InChI=1S/C18H22N4O3S/c1-22(18-20-9-5-10-21-18)13-17(24)25-14-16(23)19-11-6-12-26-15-7-3-2-4-8-15/h2-5,7-10H,6,11-14H2,1H3,(H,19,23)