9U1

N-(diaminomethylidene)urea

Created:	2023-07-14
Last modified:	2023-08-02

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1 entries where 9U1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	13
Chiral Atom Count	0
Bond Count	12
Aromatic Bond Count	0

2D diagram of 9U1

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Chemical Component Summary
Name	N-(diaminomethylidene)urea
Systematic Name (OpenEye OEToolkits)	1-[bis(azanyl)methylidene]urea
Formula	C₂ H₆ N₄ O
Molecular Weight	102.095
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N\C(N)=N/C(N)=O
SMILES	CACTVS	3.385	NC(N)=NC(N)=O
SMILES	OpenEye OEToolkits	2.0.7	C(=NC(=O)N)(N)N
Canonical SMILES	CACTVS	3.385	NC(N)=NC(N)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C(=NC(=O)N)(N)N
InChI	InChI	1.06	InChI=1S/C2H6N4O/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)
InChIKey	InChI	1.06	SQSPRWMERUQXNE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8859, 135566122
ChEBI	CHEBI:180964
CCDC/CSD	DIVVAF

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.