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

Systemtic Name: 2-[4-chloranyl-6-[(3R)-4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-chloro-6-[(3R)-4-(cyclohexanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-chloro-6-[(3R)-4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-chloro-6-[(3R)-4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-chloro-6-[(3R)-4-(cyclohexanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetate Formula: C18H24ClN4O3S- MolecularWeight: 411.92616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCCC2)C3=CC(=NC(=N3)SCC(=O)[O-])Cl

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)C2CCCCC2)C3=CC(=NC(=N3)SCC(=O)[O-])Cl

InChI

InChI=1S/C18H25ClN4O3S/c1-12-10-22(7-8-23(12)17(26)13-5-3-2-4-6-13)15-9-14(19)20-18(21-15)27-11-16(24)25/h9,12-13H,2-8,10-11H2,1H3,(H,24,25)/p-1/t12-/m1/s1