ZAT

4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)

Created:2008-08-18
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count0
Bond Count55
Aromatic Bond Count12
2D diagram of ZAT

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Chemical Component Summary

Name4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)
Systematic Name (OpenEye OEToolkits)1,3-bis[4-(N-carbamimidamido-C-methyl-carbonimidoyl)phenyl]urea
FormulaC19 H24 N10 O
Molecular Weight408.46
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(Nc1ccc(cc1)\C(=N\NC(=[N@H])N)C)Nc2ccc(\C(=N\NC(=[N@H])N)C)cc2
SMILESCACTVS3.341CC(=NNC(N)=N)c1ccc(NC(=O)Nc2ccc(cc2)C(C)=NNC(N)=N)cc1
SMILESOpenEye OEToolkits1.5.0[H]N=C(N)NN=C(C)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(=NNC(=N[H])N)C
Canonical SMILESCACTVS3.341 C\C(=N/NC(N)=N)c1ccc(NC(=O)Nc2ccc(cc2)\C(C)=N\NC(N)=N)cc1
Canonical SMILESOpenEye OEToolkits1.5.0 [H]/N=C(\N)/N/N=C(\C)/c1ccc(cc1)NC(=O)Nc2ccc(cc2)/C(=N/N/C(=N/[H])/N)/C
InChIInChI1.03 InChI=1S/C19H24N10O/c1-11(26-28-17(20)21)13-3-7-15(8-4-13)24-19(30)25-16-9-5-14(6-10-16)12(2)27-29-18(22)23/h3-10H,1-2H3,(H4,20,21,28)(H4,22,23,29)(H2,24,25,30)/b26-11+,27-12+
InChIKeyInChI1.03 HCAQGQIHBFVVIX-LYXAAFRTSA-N

Related Resource References

Resource NameReference
PubChem 6328182
ChEMBL CHEMBL142485