J0F

5-bromanyl-2-methyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidine

Created:	2021-03-10
Last modified:	2021-08-04

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1 entries where J0F is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	10

2D diagram of J0F

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Chemical Component Summary
Name	5-bromanyl-2-methyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidine
Systematic Name (OpenEye OEToolkits)	5-bromanyl-2-methyl-6-propyl-7~{H}-pyrrolo[2,3-d]pyrimidine
Formula	C₁₀ H₁₂ Br N₃
Molecular Weight	254.126
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCc1[nH]c2nc(C)ncc2c1Br
SMILES	OpenEye OEToolkits	2.0.7	CCCc1c(c2cnc(nc2[nH]1)C)Br
Canonical SMILES	CACTVS	3.385	CCCc1[nH]c2nc(C)ncc2c1Br
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCc1c(c2cnc(nc2[nH]1)C)Br
InChI	InChI	1.03	InChI=1S/C10H12BrN3/c1-3-4-8-9(11)7-5-12-6(2)13-10(7)14-8/h5H,3-4H2,1-2H3,(H,12,13,14)
InChIKey	InChI	1.03	YMPZAUCKCQGIBE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	156024951

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