2-[4-chloranyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-chloranyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-chloro-6-[4-(3-chlorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-chloro-6-[4-(3-chlorophenyl)piperazino]pyrimidin-2-yl]thio]acetate Formula: C16H15Cl2N4O2S- MolecularWeight: 398.2869

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=CC(=NC(=N3)SCC(=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=CC(=NC(=N3)SCC(=O)[O-])Cl

InChI

InChI=1S/C16H16Cl2N4O2S/c17-11-2-1-3-12(8-11)21-4-6-22(7-5-21)14-9-13(18)19-16(20-14)25-10-15(23)24/h1-3,8-9H,4-7,10H2,(H,23,24)/p-1