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ATZ : Summary
Code
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ATZ
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One-letter code
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X
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Molecule name
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2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO -1,3,5-TRIAZINE
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Systematic names
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Formula
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C8 H14 Cl N5
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Formal charge
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0
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Molecular weight
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215.683 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
Clc1nc(nc(n1)NC(C)C)NCC |
SMILES
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CACTVS |
3.341 |
CCNc1nc(Cl)nc(NC(C)C)n1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCNc1nc(nc(n1)Cl)NC(C)C |
Canonical SMILES
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CACTVS |
3.341 |
CCNc1nc(Cl)nc(NC(C)C)n1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCNc1nc(nc(n1)Cl)NC(C)C |
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IUPAC InChI | InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14) |
IUPAC InChI key | MXWJVTOOROXGIU-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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28 (14 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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1999-07-08
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Last modified at
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2021-03-01
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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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