4,4-bis(chloranyl)but-1-ene; 1-[4-(ethoxymethyl)-6-methyl-pyrimidin-2-yl]-3-sulfonyl-urea

Systemtic Name: 4,4-bis(chloranyl)but-1-ene; 1-[4-(ethoxymethyl)-6-methyl-pyrimidin-2-yl]-3-sulfonyl-urea Openeye Name: 4,4-dichlorobut-1-ene; 1-[4-(ethoxymethyl)-6-methyl-pyrimidin-2-yl]-3-sulfonyl-urea CAS Name: 4,4-dichloro-1-butene; 1-[4-(ethoxymethyl)-6-methyl-2-pyrimidinyl]-3-sulfonylurea IUPAC Name: 4,4-dichlorobut-1-ene; 1-[4-(ethoxymethyl)-6-methylpyrimidin-2-yl]-3-sulfonylurea Traditional Name: 4,4-dichlorobut-1-ene; 1-[4-(ethoxymethyl)-6-methyl-pyrimidin-2-yl]-3-sulfonyl-urea Formula: C13H18Cl2N4O4S MolecularWeight: 397.27742

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=NC(=NC(=C1)C)NC(=O)N=S(=O)=O.C=CCC(Cl)Cl

Isomeric SMILES

CCOCC1=NC(=NC(=C1)C)NC(=O)N=S(=O)=O.C=CCC(Cl)Cl

InChI

InChI=1S/C9H12N4O4S.C4H6Cl2/c1-3-17-5-7-4-6(2)10-8(11-7)12-9(14)13-18(15)16;1-2-3-4(5)6/h4H,3,5H2,1-2H3,(H,10,11,12,14);2,4H,1,3H2