2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(2,6-dimethyl-4-pyrimidinyl)thio]-1-[4-(2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(2,6-dimethylpyrimidin-4-yl)thio]-1-[4-(2-nitrophenyl)piperazino]ethanone Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O3S/c1-13-11-17(20-14(2)19-13)27-12-18(24)22-9-7-21(8-10-22)15-5-3-4-6-16(15)23(25)26/h3-6,11H,7-10,12H2,1-2H3