2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-1-(3-nitrophenyl)ethanone Openeye Name: 2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-1-(3-nitrophenyl)ethanone CAS Name: 2-[[6-(2,6-dimethyl-4-morpholinyl)-4-pyrimidinyl]thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-1-(3-nitrophenyl)ethanone Traditional Name: 2-[[6-(2,6-dimethylmorpholino)pyrimidin-4-yl]thio]-1-(3-nitrophenyl)ethanone Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=CC(=NC=N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(O1)C)C2=CC(=NC=N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4S/c1-12-8-21(9-13(2)26-12)17-7-18(20-11-19-17)27-10-16(23)14-4-3-5-15(6-14)22(24)25/h3-7,11-13H,8-10H2,1-2H3