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

Systemtic Name: 2-[4-chloranyl-6-[(3R)-4-(2,2-dimethylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-chloro-6-[(3R)-4-(2,2-dimethylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-chloro-6-[(3R)-4-(2,2-dimethyl-1-oxopropyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-chloro-6-[(3R)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-chloro-6-[(3R)-3-methyl-4-pivaloyl-piperazino]pyrimidin-2-yl]thio]acetate Formula: C16H22ClN4O3S- MolecularWeight: 385.88888

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)(C)C)C2=CC(=NC(=N2)SCC(=O)[O-])Cl

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)C(C)(C)C)C2=CC(=NC(=N2)SCC(=O)[O-])Cl

InChI

InChI=1S/C16H23ClN4O3S/c1-10-8-20(5-6-21(10)14(24)16(2,3)4)12-7-11(17)18-15(19-12)25-9-13(22)23/h7,10H,5-6,8-9H2,1-4H3,(H,22,23)/p-1/t10-/m1/s1