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

Systemtic Name: 2-[4-chloranyl-6-[4-(2,2-dimethylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-[4-(2,2-dimethylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-[4-(2,2-dimethyl-1-oxopropyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-6-[4-(2,2-dimethylpropanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-chloro-6-(3-methyl-4-pivaloyl-piperazino)pyrimidin-2-yl]thio]acetic acid Formula: C16H23ClN4O3S MolecularWeight: 386.89682

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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

CC1CN(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)