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FZJ : Summary
Code ![](/pdbe/static/images/help.png)
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FZJ
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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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3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
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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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C13 H13 N5 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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271.275 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 |
c1nccc(n1)NC2=CC=C3C(=O)NC(N3C2=O)(C)C |
SMILES
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CACTVS |
3.385 |
CC1(C)NC(=O)C2=CC=C(Nc3ccncn3)C(=O)N12 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CC1(NC(=O)C2=CC=C(C(=O)N21)Nc3ccncn3)C |
Canonical SMILES
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CACTVS |
3.385 |
CC1(C)NC(=O)C2=CC=C(Nc3ccncn3)C(=O)N12 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CC1(NC(=O)C2=CC=C(C(=O)N21)Nc3ccncn3)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C13H13N5O2/c1-13(2)17-11(19)9-4-3-8(12(20)18(9)13)16-10-5-6-14-7-15-10/h3-7H,1-2H3,(H,17,19)(H,14,15,16) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | YUDKTFUCCPOVGR-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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33 (20 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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2018-04-30
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Last modified at ![](/pdbe/static/images/help.png)
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2018-05-04
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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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