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

Systemtic Name: 2-(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-6-morpholino-pyrimidin-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-chloro-6-morpholino-pyrimidin-2-yl)thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C20H23ClN6O4S MolecularWeight: 478.95242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NC(=CC(=N3)Cl)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NC(=CC(=N3)Cl)N4CCOCC4

InChI

InChI=1S/C20H23ClN6O4S/c21-17-13-18(25-9-11-31-12-10-25)23-20(22-17)32-14-19(28)26-7-5-24(6-8-26)15-1-3-16(4-2-15)27(29)30/h1-4,13H,5-12,14H2