[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-[(2-chlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-[(2-chlorophenyl)methylsulfanyl]ethanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-[(2-chlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(2-chlorophenyl)methylthio]acetic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-[(2-chlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(2-chlorobenzyl)thio]acetic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C19H21ClN4O3S MolecularWeight: 420.91304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)CSCC3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)CSCC3=CC=CC=C3Cl

InChI

InChI=1S/C19H21ClN4O3S/c20-16-5-2-1-4-15(16)13-28-14-18(26)27-12-17(25)23-8-10-24(11-9-23)19-21-6-3-7-22-19/h1-7H,8-14H2