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3M2 : Summary
Code ![](/pdbe/static/images/help.png)
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3M2
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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(5Z)-2-amino-5-(3,5-dibromo-4-hydroxybenzylidene)-1-methyl-1,5-dihydro-4H-imidazol-4-one
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C11 H9 Br2 N3 O2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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375.016 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C\2N=C(N)N(C/2=C/c1cc(Br)c(O)c(Br)c1)C |
SMILES
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CACTVS |
3.370 |
CN1C(=NC(=O)C1=Cc2cc(Br)c(O)c(Br)c2)N |
SMILES
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OpenEye OEToolkits |
1.7.0 |
CN1C(=Cc2cc(c(c(c2)Br)O)Br)C(=O)N=C1N |
Canonical SMILES
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CACTVS |
3.370 |
CN1C(=NC(=O)/C1=C/c2cc(Br)c(O)c(Br)c2)N |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
CN1/C(=C\c2cc(c(c(c2)Br)O)Br)/C(=O)N=C1N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H9Br2N3O2/c1-16-8(10(18)15-11(16)14)4-5-2-6(12)9(17)7(13)3-5/h2-4,17H,1H3,(H2,14,15,18)/b8-4- |
IUPAC InChI key ![](/pdbe/static/images/help.png) | XBSUMZSVMPLGBU-YWEYNIOJSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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27 (18 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2011-03-07
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Last modified at ![](/pdbe/static/images/help.png)
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2011-08-19
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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