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

Systemtic Name: 1-[4-[6-chloranyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[6-chloro-2-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]butan-1-one CAS Name: 1-[4-[6-chloro-2-[[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[6-chloro-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazin-1-yl]butan-1-one Traditional Name: 1-[4-[6-chloro-2-[[2-(4-ethylpiperazino)-2-keto-ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazino]butan-1-one Formula: C21H33ClN6O2S MolecularWeight: 469.04372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)CC)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)CC)Cl

InChI

InChI=1S/C21H33ClN6O2S/c1-4-6-19(29)28-12-11-27(14-16(28)3)18-13-17(22)23-21(24-18)31-15-20(30)26-9-7-25(5-2)8-10-26/h13,16H,4-12,14-15H2,1-3H3