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

Systemtic Name: 2-[4-chloranyl-6-[4-(4-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-chloro-6-[4-(4-methoxybenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[4-chloro-6-[4-[(4-methoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-chloro-6-[4-(4-methoxybenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[4-chloro-6-(3-methyl-4-p-anisoyl-piperazino)pyrimidin-2-yl]thio]ethanone Formula: C25H31ClN6O4S MolecularWeight: 547.06944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)OC)C3=CC(=NC(=N3)SCC(=O)N4CCN(CC4)C(=O)C)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)OC)C3=CC(=NC(=N3)SCC(=O)N4CCN(CC4)C(=O)C)Cl

InChI

InChI=1S/C25H31ClN6O4S/c1-17-15-31(12-13-32(17)24(35)19-4-6-20(36-3)7-5-19)22-14-21(26)27-25(28-22)37-16-23(34)30-10-8-29(9-11-30)18(2)33/h4-7,14,17H,8-13,15-16H2,1-3H3