1-[4-[6-chloranyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]octan-1-one

Systemtic Name: 1-[4-[6-chloranyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]octan-1-one Openeye Name: 1-[4-[6-chloro-2-(2-morpholino-2-oxo-ethyl)sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]octan-1-one CAS Name: 1-[4-[6-chloro-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[6-chloro-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-yl]-2-methylpiperazin-1-yl]octan-1-one Traditional Name: 1-[4-[6-chloro-2-[(2-keto-2-morpholino-ethyl)thio]pyrimidin-4-yl]-2-methyl-piperazino]octan-1-one Formula: C23H36ClN5O3S MolecularWeight: 498.08164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCOCC3)Cl

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCOCC3)Cl

InChI

InChI=1S/C23H36ClN5O3S/c1-3-4-5-6-7-8-21(30)29-10-9-28(16-18(29)2)20-15-19(24)25-23(26-20)33-17-22(31)27-11-13-32-14-12-27/h15,18H,3-14,16-17H2,1-2H3