9IO

~{N}-(4-methoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine

Created:	2021-11-12
Last modified:	2022-08-22

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1 entries where 9IO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	16

2D diagram of 9IO

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Chemical Component Summary
Name	~{N}-(4-methoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
Systematic Name (OpenEye OEToolkits)	~{N}-(4-methoxyphenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
Formula	C₁₃ H₁₂ N₄ O
Molecular Weight	240.261
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(Nc2ncnc3[nH]ccc23)cc1
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)Nc2c3cc[nH]c3ncn2
Canonical SMILES	CACTVS	3.385	COc1ccc(Nc2ncnc3[nH]ccc23)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)Nc2c3cc[nH]c3ncn2
InChI	InChI	1.06	InChI=1S/C13H12N4O/c1-18-10-4-2-9(3-5-10)17-13-11-6-7-14-12(11)15-8-16-13/h2-8H,1H3,(H2,14,15,16,17)
InChIKey	InChI	1.06	DJHHJFCJDPLIQB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	110875107

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