S8E

5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{N},~{N}-bis(oxidanyl)imidazol-2-amine

Created:	2020-11-11
Last modified:	2024-09-27

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1 entries where S8E is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	1
Bond Count	39
Aromatic Bond Count	5

2D diagram of S8E

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Chemical Component Summary
Name	5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{N},~{N}-bis(oxidanyl)imidazol-2-amine
Systematic Name (OpenEye OEToolkits)	5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{N},~{N}-bis(oxidanyl)imidazol-2-amine
Formula	C₉ H₁₉ Br N₅ O₄ P
Molecular Weight	372.156
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCN[P](=O)(NCCBr)OCc1cnc(N(O)O)n1C
SMILES	OpenEye OEToolkits	2.0.7	CCNP(=O)(NCCBr)OCc1cnc(n1C)N(O)O
Canonical SMILES	CACTVS	3.385	CCN[P@](=O)(NCCBr)OCc1cnc(N(O)O)n1C
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCN[P@](=O)(NCCBr)OCc1cnc(n1C)N(O)O
InChI	InChI	1.03	InChI=1S/C9H19BrN5O4P/c1-3-12-20(18,13-5-4-10)19-7-8-6-11-9(14(8)2)15(16)17/h6,16-17H,3-5,7H2,1-2H3,(H2,12,13,18)/t20-/m1/s1
InChIKey	InChI	1.03	GTMVCVDSEXJDHD-HXUWFJFHSA-N

Related Resource References

Resource Name	Reference
PubChem	155804534

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