2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-[4-(6-nitro-3-pyridyl)piperazino]ethanone Formula: C17H20N6O3S MolecularWeight: 388.4441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O3S/c1-12-9-13(2)20-17(19-12)27-11-16(24)22-7-5-21(6-8-22)14-3-4-15(18-10-14)23(25)26/h3-4,9-10H,5-8,11H2,1-2H3