1-[4-[6-chloranyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]butan-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]butan-1-one Openeye Name: 1-[4-[6-chloro-2-(2-morpholino-2-oxo-ethyl)sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]butan-1-one CAS Name: 1-[4-[6-chloro-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[6-chloro-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-yl]-2-methylpiperazin-1-yl]butan-1-one Traditional Name: 1-[4-[6-chloro-2-[(2-keto-2-morpholino-ethyl)thio]pyrimidin-4-yl]-2-methyl-piperazino]butan-1-one Formula: C19H28ClN5O3S MolecularWeight: 441.97532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28ClN5O3S/c1-3-4-17(26)25-6-5-24(12-14(25)2)16-11-15(20)21-19(22-16)29-13-18(27)23-7-9-28-10-8-23/h11,14H,3-10,12-13H2,1-2H3