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OA3 : Summary
Code ![](/pdbe/static/images/help.png)
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OA3
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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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4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-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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C10 H13 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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191.23 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 |
10.04 |
O=C2c1c(ncnc1N)CC(C2)(C)C |
SMILES
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CACTVS |
3.352 |
CC1(C)CC(=O)c2c(N)ncnc2C1 |
SMILES
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OpenEye OEToolkits |
1.6.1 |
CC1(Cc2c(c(ncn2)N)C(=O)C1)C |
Canonical SMILES
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CACTVS |
3.352 |
CC1(C)CC(=O)c2c(N)ncnc2C1 |
Canonical SMILES
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OpenEye OEToolkits |
1.6.1 |
CC1(Cc2c(c(ncn2)N)C(=O)C1)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H13N3O/c1-10(2)3-6-8(7(14)4-10)9(11)13-5-12-6/h5H,3-4H2,1-2H3,(H2,11,12,13) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | DYPFWRCGECJCBK-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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27 (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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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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2008-12-18
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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