N-butyl-4-[6-chloranyl-2-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide

Systemtic Name: N-butyl-4-[6-chloranyl-2-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[2-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-chloro-pyrimidin-4-yl]-N-butyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[2-[[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]thio]-6-chloro-4-pyrimidinyl]-N-butyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]-N-butyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[2-[[2-(4-acetylpiperazino)-2-keto-ethyl]thio]-6-chloro-pyrimidin-4-yl]-N-butyl-2-methyl-piperazine-1-carboxamide Formula: C22H34ClN7O3S MolecularWeight: 512.06846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34ClN7O3S/c1-4-5-6-24-22(33)30-12-11-29(14-16(30)2)19-13-18(23)25-21(26-19)34-15-20(32)28-9-7-27(8-10-28)17(3)31/h13,16H,4-12,14-15H2,1-3H3,(H,24,33)