1-[4-[6-chloranyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]hexan-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]hexan-1-one Openeye Name: 1-[4-[6-chloro-2-(2-morpholino-2-oxo-ethyl)sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[6-chloro-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[6-chloro-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-yl]-2-methylpiperazin-1-yl]hexan-1-one Traditional Name: 1-[4-[6-chloro-2-[(2-keto-2-morpholino-ethyl)thio]pyrimidin-4-yl]-2-methyl-piperazino]hexan-1-one Formula: C21H32ClN5O3S MolecularWeight: 470.02848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32ClN5O3S/c1-3-4-5-6-19(28)27-8-7-26(14-16(27)2)18-13-17(22)23-21(24-18)31-15-20(29)25-9-11-30-12-10-25/h13,16H,3-12,14-15H2,1-2H3