3-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-N,N-diethyl-benzamide

Systemtic Name: 3-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-N,N-diethyl-benzamide Openeye Name: 3-(6-chloro-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-N,N-diethyl-benzamide CAS Name: 3-[[6-chloro-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-N,N-diethylbenzamide IUPAC Name: 3-(6-chloro-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxy-N,N-diethylbenzamide Traditional Name: 3-[6-chloro-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-N,N-diethyl-benzamide Formula: C16H17ClN4O4S MolecularWeight: 396.84858

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)OC2=C(C(=NC(=N2)SC)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)OC2=C(C(=NC(=N2)SC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN4O4S/c1-4-20(5-2)15(22)10-7-6-8-11(9-10)25-14-12(21(23)24)13(17)18-16(19-14)26-3/h6-9H,4-5H2,1-3H3