B53

2,6-diamino-5-nitrosopyrimidin-4(3H)-one

Created:	2009-04-24
Last modified:	2011-06-04

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1 entries where B53 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	0

2D diagram of B53

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Chemical Component Summary
Name	2,6-diamino-5-nitrosopyrimidin-4(3H)-one
Systematic Name (OpenEye OEToolkits)	2,6-diamino-5-nitroso-3H-pyrimidin-4-one
Formula	C₄ H₅ N₅ O₂
Molecular Weight	155.115
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1C(N=O)=C(N=C(N)N1)N
SMILES	CACTVS	3.341	NC1=NC(=C(N=O)C(=O)N1)N
SMILES	OpenEye OEToolkits	1.5.0	C1(=C(N=C(NC1=O)N)N)N=O
Canonical SMILES	CACTVS	3.341	NC1=NC(=C(N=O)C(=O)N1)N
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1(=C(N=C(NC1=O)N)N)N=O
InChI	InChI	1.03	InChI=1S/C4H5N5O2/c5-2-1(9-11)3(10)8-4(6)7-2/h(H5,5,6,7,8,10)
InChIKey	InChI	1.03	HVMRLFSFHWCUCG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL291324
PubChem	75436, 135408762
ChEMBL	CHEMBL291324

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