1-[4-[6-chloranyl-2-[2-(4-ethanoylpiperazin-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-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[2-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-chloro-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]butan-1-one CAS Name: 1-[4-[2-[[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]thio]-6-chloro-4-pyrimidinyl]-2-methyl-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]-2-methylpiperazin-1-yl]butan-1-one Traditional Name: 1-[4-[2-[[2-(4-acetylpiperazino)-2-keto-ethyl]thio]-6-chloro-pyrimidin-4-yl]-2-methyl-piperazino]butan-1-one Formula: C21H31ClN6O3S MolecularWeight: 483.02724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN6O3S/c1-4-5-19(30)28-11-10-27(13-15(28)2)18-12-17(22)23-21(24-18)32-14-20(31)26-8-6-25(7-9-26)16(3)29/h12,15H,4-11,13-14H2,1-3H3