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77O : Summary
Code ![](/pdbe/static/images/help.png)
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77O
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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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6-chloro-N-[(furan-2-yl)methyl]pyrazin-2-amine
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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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C9 H8 Cl N3 O
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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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209.632 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 |
c1ncc(Cl)nc1NCc2ccco2 |
SMILES
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CACTVS |
3.385 |
Clc1cncc(NCc2occc2)n1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(oc1)CNc2cncc(n2)Cl |
Canonical SMILES
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CACTVS |
3.385 |
Clc1cncc(NCc2occc2)n1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(oc1)CNc2cncc(n2)Cl |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H8ClN3O/c10-8-5-11-6-9(13-8)12-4-7-2-1-3-14-7/h1-3,5-6H,4H2,(H,12,13) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | PEEZSSNXCUTRPK-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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22 (14 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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2016-09-08
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Last modified at ![](/pdbe/static/images/help.png)
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2016-10-21
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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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