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AX3 : Summary
Code
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AX3
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One-letter code
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X
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Molecule name
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N~2~-cyclopropyl-1,3,5-triazine-2,4,6-triamine
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Systematic names
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Formula
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C6 H10 N6
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Formal charge
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0
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Molecular weight
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166.184 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
n1c(nc(nc1N)NC2CC2)N |
SMILES
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CACTVS |
3.341 |
Nc1nc(N)nc(NC2CC2)n1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1CC1Nc2nc(nc(n2)N)N |
Canonical SMILES
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CACTVS |
3.341 |
Nc1nc(N)nc(NC2CC2)n1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1CC1Nc2nc(nc(n2)N)N |
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IUPAC InChI | InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12) |
IUPAC InChI key | LVQDKIWDGQRHTE-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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22 (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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2007-12-20
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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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