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EU2 : Summary
Code ![](/pdbe/static/images/help.png)
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EU2
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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-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-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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C17 H17 Cl N4 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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344.795 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Clc1cnc(NC2CCOCC2)nc1c3ccc4CNC(=O)c4c3 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc2c(cc1c3c(cnc(n3)NC4CCOCC4)Cl)C(=O)NC2 |
Canonical SMILES
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CACTVS |
3.385 |
Clc1cnc(NC2CCOCC2)nc1c3ccc4CNC(=O)c4c3 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc2c(cc1c3c(cnc(n3)NC4CCOCC4)Cl)C(=O)NC2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C17H17ClN4O2/c18-14-9-20-17(21-12-3-5-24-6-4-12)22-15(14)10-1-2-11-8-19-16(23)13(11)7-10/h1-2,7,9,12H,3-6,8H2,(H,19,23)(H,20,21,22) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | GIZKBEAJKWOWLS-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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41 (24 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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2018-04-13
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Last modified at ![](/pdbe/static/images/help.png)
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2018-05-25
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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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