1-[4-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[3-[[[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-[[[4-methyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]benzoyl]piperazino]ethanone Formula: C24H32N6O2S MolecularWeight: 468.61488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)C)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=O)C)N4CCN(CC4)C

InChI

InChI=1S/C24H32N6O2S/c1-18-15-22(29-9-7-27(3)8-10-29)26-24(25-18)33-17-20-5-4-6-21(16-20)23(32)30-13-11-28(12-14-30)19(2)31/h4-6,15-16H,7-14,17H2,1-3H3