1-[4-[6-chloranyl-2-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 1-[4-[6-chloranyl-2-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[2-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-chloro-pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 1-[4-[2-[[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]thio]-6-chloro-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[2-[[2-(4-acetylpiperazino)-2-keto-ethyl]thio]-6-chloro-pyrimidin-4-yl]piperazino]propan-1-one Formula: C19H27ClN6O3S MolecularWeight: 454.97408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C(=O)C)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C(=O)C)Cl

InChI

InChI=1S/C19H27ClN6O3S/c1-3-17(28)25-10-6-24(7-11-25)16-12-15(20)21-19(22-16)30-13-18(29)26-8-4-23(5-9-26)14(2)27/h12H,3-11,13H2,1-2H3