Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C8H12Cl2N6O |
| Molecular Weight | 279.126 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
| Stereo Comments | Assumed E-isomer (MM2 minimum energy E and Z-isomers are 17.3896 and 27.8060 kcal/mol |
SHOW SMILES / InChI
SMILES
NC(=O)C1=C(NC=N1)\N=N\N(CCCl)CCCl
InChI
InChIKey=XWRSGLHADOYUFN-CCEZHUSRSA-N
InChI=1S/C8H12Cl2N6O/c9-1-3-16(4-2-10)15-14-8-6(7(11)17)12-5-13-8/h5H,1-4H2,(H2,11,17)(H,12,13)/b15-14+
Approval Year
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NCI_THESAURUS |
C902
Created by
admin on Fri Dec 15 14:58:26 GMT 2023 , Edited by admin on Fri Dec 15 14:58:26 GMT 2023
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C2216
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82196
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5034-77-5
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OY338X4M2P
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135478849
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DTXSID001032375
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admin on Fri Dec 15 14:58:26 GMT 2023 , Edited by admin on Fri Dec 15 14:58:26 GMT 2023
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PRIMARY |
SALT/SOLVATE (PARENT)
