XH5

(5S)-5-methyl-1,3-diazinane-2,4-dione

Created:	2022-11-16
Last modified:	2023-02-01

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1 entries where XH5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	1
Bond Count	17
Aromatic Bond Count	0

2D diagram of XH5

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Chemical Component Summary
Name	(5S)-5-methyl-1,3-diazinane-2,4-dione
Systematic Name (OpenEye OEToolkits)	(5~{S})-5-methyl-1,3-diazinane-2,4-dione
Formula	C₅ H₈ N₂ O₂
Molecular Weight	128.129
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1NC(=O)C(C)CN1
SMILES	CACTVS	3.385	C[CH]1CNC(=O)NC1=O
SMILES	OpenEye OEToolkits	2.0.7	CC1CNC(=O)NC1=O
Canonical SMILES	CACTVS	3.385	C[C@H]1CNC(=O)NC1=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H]1CNC(=O)NC1=O
InChI	InChI	1.06	InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)/t3-/m0/s1
InChIKey	InChI	1.06	NBAKTGXDIBVZOO-VKHMYHEASA-N

Related Resource References

Resource Name	Reference
PubChem	676414

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