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BRN

Summary
Name:BERENIL
Synonyms:DIMINAZINE ACETURATE
1,3-TRIS-(4'AMIDINOPHENYL)TRIAZINE
Formula:C14 H15 N7
Formal charge:0
Formula weight:281.316 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-[(1E)-3-(4-carbamimidoylphenyl)triaz-1-en-1-yl]benzenecarboximidamide
OpenEye OEToolkits1.5.04-[(2E)-2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04N(=N/Nc1ccc(cc1)C(=[N@H])N)\c2ccc(C(=[N@H])N)cc2
SMILES_CANONICALCACTVS3.341NC(=N)c1ccc(NN=Nc2ccc(cc2)C(N)=N)cc1
SMILESCACTVS3.341NC(=N)c1ccc(NN=Nc2ccc(cc2)C(N)=N)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1C(=N)N)N/N=N/c2ccc(cc2)C(=N)N
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C(=N)N)NN=Nc2ccc(cc2)C(=N)N
InChIInChI1.03InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)
InChIKeyInChI1.03XNYZHCFCZNMTFY-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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