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

Systemtic Name: 2-[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[4-chloro-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[4-chloro-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]-1-piperidino-ethanone Formula: C22H28ClN5O2S MolecularWeight: 462.00802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)N4CCCCC4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)N4CCCCC4)Cl

InChI

InChI=1S/C22H28ClN5O2S/c1-30-18-7-5-17(6-8-18)26-11-13-27(14-12-26)20-15-19(23)24-22(25-20)31-16-21(29)28-9-3-2-4-10-28/h5-8,15H,2-4,9-14,16H2,1H3