1-[3-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-methyl-phenyl]urea

Systemtic Name: 1-[3-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-methyl-phenyl]urea Openeye Name: [3-(6-chloro-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-5-methyl-phenyl]urea CAS Name: [3-[[6-chloro-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-5-methylphenyl]urea IUPAC Name: [3-(6-chloro-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxy-5-methylphenyl]urea Traditional Name: [3-[6-chloro-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-5-methyl-phenyl]urea Formula: C13H12ClN5O4S MolecularWeight: 369.78348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(C(=NC(=N2)SC)Cl)[N+](=O)[O-])NC(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(C(=NC(=N2)SC)Cl)[N+](=O)[O-])NC(=O)N

InChI

InChI=1S/C13H12ClN5O4S/c1-6-3-7(16-12(15)20)5-8(4-6)23-11-9(19(21)22)10(14)17-13(18-11)24-2/h3-5H,1-2H3,(H3,15,16,20)