1-(2-chloranylcyclooctyl)sulfonyl-3-(4-chloranyl-6-methyl-5-nitro-pyrimidin-2-yl)urea

Systemtic Name: 1-(2-chloranylcyclooctyl)sulfonyl-3-(4-chloranyl-6-methyl-5-nitro-pyrimidin-2-yl)urea Openeye Name: 1-(2-chlorocyclooctyl)sulfonyl-3-(4-chloro-6-methyl-5-nitro-pyrimidin-2-yl)urea CAS Name: 1-(2-chlorocyclooctyl)sulfonyl-3-(4-chloro-6-methyl-5-nitro-2-pyrimidinyl)urea IUPAC Name: 1-(2-chlorocyclooctyl)sulfonyl-3-(4-chloro-6-methyl-5-nitropyrimidin-2-yl)urea Traditional Name: 1-(2-chlorocyclooctyl)sulfonyl-3-(4-chloro-6-methyl-5-nitro-pyrimidin-2-yl)urea Formula: C14H19Cl2N5O5S MolecularWeight: 440.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC(=O)NS(=O)(=O)C2CCCCCCC2Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC(=O)NS(=O)(=O)C2CCCCCCC2Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H19Cl2N5O5S/c1-8-11(21(23)24)12(16)18-13(17-8)19-14(22)20-27(25,26)10-7-5-3-2-4-6-9(10)15/h9-10H,2-7H2,1H3,(H2,17,18,19,20,22)