PDB CCD ID: | RJ1 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C9 H9 Cl F3 N5 |
InChI: | InChI=1S/C9H9ClF3N5/c10-5-2-1-4(9(11,12)13)3-6(5)17-8(16)18-7(14)15/h1-3H,(H6,14,15,16,17,18) |
InChIKey: | IGFTZEOFHWPCDL-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.341 | NC(=N)NC(=N)Nc1cc(ccc1Cl)C(F)(F)F | OpenEye OEToolkits 1.5.0 | [H]/N=C(\N)/N/C(=N\[H])/Nc1cc(ccc1Cl)C(F)(F)F | OpenEye OEToolkits 1.5.0 | [H]N=C(N)NC(=N[H])Nc1cc(ccc1Cl)C(F)(F)F | ACDLabs 10.04 | Clc1ccc(cc1NC(=[N@H])NC(=[N@H])N)C(F)(F)F |
|
Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide; 2-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-1-chloro-4-(trifluoromethyl)benzene |
ChEMBL: | CHEMBL219484 |
DrugBank: | DB08478 |
ZINC: | ZINC000000073041 |