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W9M : Summary
Code 
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W9M
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One-letter code
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X
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Molecule name
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3-(3,4-dichlorophenyl)-1,1-dimethyl-urea
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Systematic names
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Formula
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C9 H10 Cl2 N2 O
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Formal charge
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0
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Molecular weight
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233.094 Da
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SMILES
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| Type | Program | Version | Descriptor |
|---|
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SMILES
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ACDLabs |
12.01 |
Clc1ccc(NC(=O)N(C)C)cc1Cl |
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SMILES
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CACTVS |
3.385 |
CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1 |
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SMILES
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OpenEye OEToolkits |
1.9.2 |
CN(C)C(=O)Nc1ccc(c(c1)Cl)Cl |
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Canonical SMILES
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CACTVS |
3.385 |
CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1 |
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Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
CN(C)C(=O)Nc1ccc(c(c1)Cl)Cl |
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IUPAC InChI | InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14) |
IUPAC InChI key | XMTQQYYKAHVGBJ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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24 (14 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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non-polymer
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2013-09-09
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Last modified at
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2014-09-26
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Status
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Released
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Obsoleted
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Not Assigned
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