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S60 : Summary
Code ![](/pdbe/static/images/help.png)
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S60
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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-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-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 H9 N5 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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215.211 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=C1c3c(N=C(N)N1)cc2nc(nc2c3)C |
SMILES
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CACTVS |
3.341 |
Cc1[nH]c2cc3C(=O)NC(=Nc3cc2n1)N |
SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1[nH]c2cc3c(cc2n1)N=C(NC3=O)N |
Canonical SMILES
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CACTVS |
3.341 |
Cc1[nH]c2cc3C(=O)NC(=Nc3cc2n1)N |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1[nH]c2cc3c(cc2n1)N=C(NC3=O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H9N5O/c1-4-12-7-2-5-6(3-8(7)13-4)14-10(11)15-9(5)16/h2-3H,1H3,(H,12,13)(H3,11,14,15,16) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | PLJNUNPYZVVIRA-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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25 (16 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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2008-01-31
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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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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