4EZ

{[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol

Created:	2015-03-13
Last modified:	2015-11-25

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1 entries where 4EZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	10

2D diagram of 4EZ

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Chemical Component Summary
Name	{[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol
Systematic Name (OpenEye OEToolkits)	[(4-azanyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl-hexyl-amino]methanol
Formula	C₁₄ H₂₃ N₅ O
Molecular Weight	277.365
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(O)N(CCCCCC)Cc2c1ncnc(c1nc2)N
SMILES	CACTVS	3.385	CCCCCCN(CO)Cc1c[nH]c2c(N)ncnc12
SMILES	OpenEye OEToolkits	1.9.2	CCCCCCN(Cc1c[nH]c2c1ncnc2N)CO
Canonical SMILES	CACTVS	3.385	CCCCCCN(CO)Cc1c[nH]c2c(N)ncnc12
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCCCCCN(Cc1c[nH]c2c1ncnc2N)CO
InChI	InChI	1.03	InChI=1S/C14H23N5O/c1-2-3-4-5-6-19(10-20)8-11-7-16-13-12(11)17-9-18-14(13)15/h7,9,16,20H,2-6,8,10H2,1H3,(H2,15,17,18)
InChIKey	InChI	1.03	OHTIHCJDNXLIDO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137348236

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