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

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-chloro-6-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-chloro-6-[4-(cyclopropanecarbonyl)piperazino]pyrimidin-2-yl]thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C24H28ClN7O4S MolecularWeight: 546.04162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H28ClN7O4S/c25-20-15-21(29-9-13-31(14-10-29)23(34)17-1-2-17)27-24(26-20)37-16-22(33)30-11-7-28(8-12-30)18-3-5-19(6-4-18)32(35)36/h3-6,15,17H,1-2,7-14,16H2