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

Systemtic Name: 2-[4-[(3R)-4-butanoyl-3-methyl-piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-[(3R)-4-butanoyl-3-methyl-piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-chloro-6-[(3R)-3-methyl-4-(1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-[(3R)-4-butanoyl-3-methylpiperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-[(3R)-4-butyryl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]acetate Formula: C15H20ClN4O3S- MolecularWeight: 371.8623

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)[O-])Cl

Isomeric SMILES

CCCC(=O)N1CCN(C[C@H]1C)C2=CC(=NC(=N2)SCC(=O)[O-])Cl

InChI

InChI=1S/C15H21ClN4O3S/c1-3-4-13(21)20-6-5-19(8-10(20)2)12-7-11(16)17-15(18-12)24-9-14(22)23/h7,10H,3-6,8-9H2,1-2H3,(H,22,23)/p-1/t10-/m1/s1