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

Systemtic Name: 2-[4-chloranyl-6-[(3R)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-chloro-6-[(3R)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-chloro-6-[(3R)-3-methyl-4-(3-methyl-1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-chloro-6-[(3R)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-chloro-6-[(3R)-4-isovaleryl-3-methyl-piperazino]pyrimidin-2-yl]thio]acetate Formula: C16H22ClN4O3S- MolecularWeight: 385.88888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN4O3S/c1-10(2)6-14(22)21-5-4-20(8-11(21)3)13-7-12(17)18-16(19-13)25-9-15(23)24/h7,10-11H,4-6,8-9H2,1-3H3,(H,23,24)/p-1/t11-/m1/s1