N0C

~{N}-[(~{E})-[2-phenyl-6-[[2-[2-(trimethyl-$l^{4}-azanyl)ethanoyl]hydrazinyl]methyl]pyrimidin-4-yl]methylideneamino]-2-(trimethyl-$l^{4}-azanyl)ethanamide

Created: 2022-08-09
Last modified:  2023-09-23

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Chemical Details

Formal Charge2
Atom Count66
Chiral Atom Count0
Bond Count67
Aromatic Bond Count12
2D diagram of N0C
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Chemical Component Summary

Name~{N}-[(~{E})-[2-phenyl-6-[[2-[2-(trimethyl-$l^{4}-azanyl)ethanoyl]hydrazinyl]methyl]pyrimidin-4-yl]methylideneamino]-2-(trimethyl-$l^{4}-azanyl)ethanamide
Systematic Name (OpenEye OEToolkits)trimethyl-[2-oxidanylidene-2-[2-[[2-phenyl-6-[(~{E})-[2-(trimethylazaniumyl)ethanoylhydrazinylidene]methyl]pyrimidin-4-yl]methyl]hydrazinyl]ethyl]azanium
FormulaC22 H34 N8 O2
Molecular Weight442.558
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385C[N+](C)(C)CC(=O)NNCc1cc(C=NNC(=O)C[N+](C)(C)C)nc(n1)c2ccccc2
SMILESOpenEye OEToolkits2.0.7C[N+](C)(C)CC(=O)NNCc1cc(nc(n1)c2ccccc2)C=NNC(=O)C[N+](C)(C)C
Canonical SMILESCACTVS3.385 C[N+](C)(C)CC(=O)NNCc1cc(\C=N\NC(=O)C[N+](C)(C)C)nc(n1)c2ccccc2
Canonical SMILESOpenEye OEToolkits2.0.7 C[N+](C)(C)CC(=O)NNCc1cc(nc(n1)c2ccccc2)/C=N/NC(=O)C[N+](C)(C)C
InChIInChI1.06 InChI=1S/C22H32N8O2/c1-29(2,3)15-20(31)27-23-13-18-12-19(14-24-28-21(32)16-30(4,5)6)26-22(25-18)17-10-8-7-9-11-17/h7-13H,14-16H2,1-6H3,(H-2,23,24,25,26,27,28,31,32)/p+2
InChIKeyInChI1.06 HKNVHNBOLZPBQX-UHFFFAOYSA-P

Related Resource References

Resource NameReference
PubChem 168451667