1-[4-[6-chloranyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]propan-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]propan-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]propan-1-one CAS Name: 1-[4-[6-chloro-2-[[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[6-chloro-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-1-one Traditional Name: 1-[4-[6-chloro-2-[[2-(4-ethylpiperazino)-2-keto-ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazino]propan-1-one Formula: C20H31ClN6O2S MolecularWeight: 455.01714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31ClN6O2S/c1-4-18(28)27-11-10-26(13-15(27)3)17-12-16(21)22-20(23-17)30-14-19(29)25-8-6-24(5-2)7-9-25/h12,15H,4-11,13-14H2,1-3H3