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

Systemtic Name: 2-[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C20H25ClN6O3S MolecularWeight: 464.9689

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H25ClN6O3S/c1-3-24(4-2)18-13-17(21)22-20(23-18)31-14-19(28)26-11-9-25(10-12-26)15-5-7-16(8-6-15)27(29)30/h5-8,13H,3-4,9-12,14H2,1-2H3