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

Systemtic Name: 2-[4-chloranyl-6-[(3R)-4-(3-cyclopentylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-chloro-6-[(3R)-4-(3-cyclopentylpropanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-chloro-6-[(3R)-4-(3-cyclopentyl-1-oxopropyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-chloro-6-[(3R)-4-(3-cyclopentylpropanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-chloro-6-[(3R)-4-(3-cyclopentylpropanoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetate Formula: C19H26ClN4O3S- MolecularWeight: 425.95274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CCC2CCCC2)C3=CC(=NC(=N3)SCC(=O)[O-])Cl

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)CCC2CCCC2)C3=CC(=NC(=N3)SCC(=O)[O-])Cl

InChI

InChI=1S/C19H27ClN4O3S/c1-13-11-23(16-10-15(20)21-19(22-16)28-12-18(26)27)8-9-24(13)17(25)7-6-14-4-2-3-5-14/h10,13-14H,2-9,11-12H2,1H3,(H,26,27)/p-1/t13-/m1/s1