S76

6-(METHYLAMINO)-1H-PYRIMIDINE-2,4-DIONE

Created:	2016-01-06
Last modified:	2017-01-18

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1 entries where S76 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	0

2D diagram of S76

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Chemical Component Summary
Name	6-(METHYLAMINO)-1H-PYRIMIDINE-2,4-DIONE
Systematic Name (OpenEye OEToolkits)	6-(methylamino)-1H-pyrimidine-2,4-dione
Formula	C₅ H₇ N₃ O₂
Molecular Weight	141.128
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNC1=CC(=O)NC(=O)N1
SMILES	OpenEye OEToolkits	1.7.6	CNC1=CC(=O)NC(=O)N1
Canonical SMILES	CACTVS	3.385	CNC1=CC(=O)NC(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CNC1=CC(=O)NC(=O)N1
InChI	InChI	1.03	InChI=1S/C5H7N3O2/c1-6-3-2-4(9)8-5(10)7-3/h2H,1H3,(H3,6,7,8,9,10)
InChIKey	InChI	1.03	ISUVRRPGXQIRDM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	255440

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