[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCN(CC1)C2=NC=CC=N2)SC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OCC(=O)N1CCN(CC1)C2=NC=CC=N2)SC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O3S/c1-15(27-16-6-3-2-4-7-16)18(25)26-14-17(24)22-10-12-23(13-11-22)19-20-8-5-9-21-19/h2-9,15H,10-14H2,1H3/t15-/m1/s1