2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]ethanone Formula: C18H28ClN5O2S MolecularWeight: 413.96522

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C(=O)C)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C(=O)C)Cl

InChI

InChI=1S/C18H28ClN5O2S/c1-4-6-23(7-5-2)16-12-15(19)20-18(21-16)27-13-17(26)24-10-8-22(9-11-24)14(3)25/h12H,4-11,13H2,1-3H3