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

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2R)-2-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (2R)-2-(p-tolylsulfanyl)propanoate CAS Name: (2R)-2-[(4-methylphenyl)thio]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-(4-methylphenyl)sulfanylpropanoate Traditional Name: (2R)-2-(p-tolylthio)propionic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H](C)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H24N4O3S/c1-15-4-6-17(7-5-15)28-16(2)19(26)27-14-18(25)23-10-12-24(13-11-23)20-21-8-3-9-22-20/h3-9,16H,10-14H2,1-2H3/t16-/m1/s1