HIK

3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol

Created:	2022-01-03
Last modified:	2022-02-09

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1 entries where HIK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	12

2D diagram of HIK

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Chemical Component Summary
Name	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol
Systematic Name (OpenEye OEToolkits)	3-[2-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]pyridin-3-yl]propan-1-ol
Formula	C₁₇ H₂₅ N₅ O₃
Molecular Weight	347.412
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCc1nc(N)nc(N)c1OCCCOc1ncccc1CCCO
SMILES	CACTVS	3.385	CCc1nc(N)nc(N)c1OCCCOc2ncccc2CCCO
SMILES	OpenEye OEToolkits	2.0.7	CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)CCCO
Canonical SMILES	CACTVS	3.385	CCc1nc(N)nc(N)c1OCCCOc2ncccc2CCCO
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCc1c(c(nc(n1)N)N)OCCCOc2c(cccn2)CCCO
InChI	InChI	1.03	InChI=1S/C17H25N5O3/c1-2-13-14(15(18)22-17(19)21-13)24-10-5-11-25-16-12(7-4-9-23)6-3-8-20-16/h3,6,8,23H,2,4-5,7,9-11H2,1H3,(H4,18,19,21,22)
InChIKey	InChI	1.03	PWWUVSFRVAAKJX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	162540408

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