2-[4-chloranyl-6-[3-methyl-4-(4-methylphenyl)carbonyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-chloranyl-6-[3-methyl-4-(4-methylphenyl)carbonyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone Openeye Name: 2-[4-chloro-6-[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone CAS Name: 2-[[4-chloro-6-[3-methyl-4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-2-pyrimidinyl]thio]-1-(4-ethyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-chloro-6-[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-chloro-6-(3-methyl-4-p-toluoyl-piperazino)pyrimidin-2-yl]thio]-1-(4-ethylpiperazino)ethanone Formula: C25H33ClN6O2S MolecularWeight: 517.08652

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H33ClN6O2S/c1-4-29-9-11-30(12-10-29)23(33)17-35-25-27-21(26)15-22(28-25)31-13-14-32(19(3)16-31)24(34)20-7-5-18(2)6-8-20/h5-8,15,19H,4,9-14,16-17H2,1-3H3