FD7

N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea

Created:	2018-03-23
Last modified:	2019-02-06

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4 entries where FD7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	6

2D diagram of FD7

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Chemical Component Summary
Name	N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea
Systematic Name (OpenEye OEToolkits)	1-(2,6-diethylphenyl)-3-(~{N}-ethylcarbamimidoyl)urea
Formula	C₁₄ H₂₂ N₄ O
Molecular Weight	262.351
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(c(cccc1CC)CC)NC(=O)N/C(=N)NCC
SMILES	CACTVS	3.385	CCNC(=N)NC(=O)Nc1c(CC)cccc1CC
SMILES	OpenEye OEToolkits	2.0.6	CCc1cccc(c1NC(=O)NC(=N)NCC)CC
Canonical SMILES	CACTVS	3.385	CCNC(=N)NC(=O)Nc1c(CC)cccc1CC
Canonical SMILES	OpenEye OEToolkits	2.0.6	[H]/N=C(/NCC)\NC(=O)Nc1c(cccc1CC)CC
InChI	InChI	1.03	InChI=1S/C14H22N4O/c1-4-10-8-7-9-11(5-2)12(10)17-14(19)18-13(15)16-6-3/h7-9H,4-6H2,1-3H3,(H4,15,16,17,18,19)
InChIKey	InChI	1.03	VHGRQUGTHVVVTE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	13023375

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.