2-[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone Openeye Name: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone CAS Name: 2-[[4-chloro-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]-1-(4-ethyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-chloro-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]-1-(4-ethylpiperazino)ethanone Formula: C23H31ClN6O2S MolecularWeight: 491.04924

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H31ClN6O2S/c1-3-27-8-10-30(11-9-27)22(31)17-33-23-25-20(24)16-21(26-23)29-14-12-28(13-15-29)18-4-6-19(32-2)7-5-18/h4-7,16H,3,8-15,17H2,1-2H3