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

Systemtic Name: 2-(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C21H25ClN6O3S MolecularWeight: 476.9796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H25ClN6O3S/c22-18-14-19(26-8-2-1-3-9-26)24-21(23-18)32-15-20(29)27-12-10-25(11-13-27)16-4-6-17(7-5-16)28(30)31/h4-7,14H,1-3,8-13,15H2