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MY6 : Summary
Code
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MY6
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One-letter code
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X
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Molecule name
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2-amino-7-methyl-1,7-dihydro-6H-purin-6-one
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Systematic names
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Formula
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C6 H7 N5 O
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Formal charge
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0
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Molecular weight
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165.153 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C1c2c(N=C(N1)N)ncn2C |
SMILES
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CACTVS |
3.370 |
Cn1cnc2N=C(N)NC(=O)c12 |
SMILES
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OpenEye OEToolkits |
1.7.0 |
Cn1cnc2c1C(=O)NC(=N2)N |
Canonical SMILES
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CACTVS |
3.370 |
Cn1cnc2N=C(N)NC(=O)c12 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
Cn1cnc2c1C(=O)NC(=N2)N |
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IUPAC InChI | InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12) |
IUPAC InChI key | FZWGECJQACGGTI-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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19 (12 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2010-05-12
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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