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

Systemtic Name: 2-[4-chloranyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-chloro-6-[4-(4-methoxyphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-chloro-6-[4-(4-methoxyphenyl)piperazino]pyrimidin-2-yl]thio]-1-pyrrolidino-ethanone Formula: C21H26ClN5O2S MolecularWeight: 447.98144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)N4CCCC4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)N4CCCC4)Cl

InChI

InChI=1S/C21H26ClN5O2S/c1-29-17-6-4-16(5-7-17)25-10-12-26(13-11-25)19-14-18(22)23-21(24-19)30-15-20(28)27-8-2-3-9-27/h4-7,14H,2-3,8-13,15H2,1H3