2-[4-chloranyl-6-[(3R)-3-methyl-4-propanoyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-chloranyl-6-[(3R)-3-methyl-4-propanoyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-chloro-6-[(3R)-3-methyl-4-propanoyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-chloro-6-[(3R)-3-methyl-4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-chloro-6-[(3R)-3-methyl-4-propanoylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-chloro-6-[(3R)-3-methyl-4-propionyl-piperazino]pyrimidin-2-yl]thio]acetate Formula: C14H18ClN4O3S- MolecularWeight: 357.83572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)[O-])Cl

Isomeric SMILES

CCC(=O)N1CCN(C[C@H]1C)C2=CC(=NC(=N2)SCC(=O)[O-])Cl

InChI

InChI=1S/C14H19ClN4O3S/c1-3-12(20)19-5-4-18(7-9(19)2)11-6-10(15)16-14(17-11)23-8-13(21)22/h6,9H,3-5,7-8H2,1-2H3,(H,21,22)/p-1/t9-/m1/s1