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

Systemtic Name: 1-(4-chloranyl-6-methyl-5-nitro-pyrimidin-2-yl)-3-sulfonyl-urea; 3-chloranylprop-1-ene Openeye Name: 1-(4-chloro-6-methyl-5-nitro-pyrimidin-2-yl)-3-sulfonyl-urea; 3-chloroprop-1-ene CAS Name: 1-(4-chloro-6-methyl-5-nitro-2-pyrimidinyl)-3-sulfonylurea; 3-chloro-1-propene IUPAC Name: 1-(4-chloro-6-methyl-5-nitropyrimidin-2-yl)-3-sulfonylurea; 3-chloroprop-1-ene Traditional Name: 1-(4-chloro-6-methyl-5-nitro-pyrimidin-2-yl)-3-sulfonyl-urea; 3-chloroprop-1-ene Formula: C9H9Cl2N5O5S MolecularWeight: 370.16926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC(=O)N=S(=O)=O)Cl)[N+](=O)[O-].C=CCCl

Isomeric SMILES

CC1=C(C(=NC(=N1)NC(=O)N=S(=O)=O)Cl)[N+](=O)[O-].C=CCCl

InChI

InChI=1S/C6H4ClN5O5S.C3H5Cl/c1-2-3(12(14)15)4(7)9-5(8-2)10-6(13)11-18(16)17;1-2-3-4/h1H3,(H,8,9,10,13);2H,1,3H2