IWF

2-chloranyl-9-[(2-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine

Created:	2023-08-03
Last modified:	2023-12-06

Find Related PDB Entry
1 entries where IWF is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	16

2D diagram of IWF

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-chloranyl-9-[(2-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine
Systematic Name (OpenEye OEToolkits)	2-chloranyl-9-[(2-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine
Formula	C₁₄ H₁₄ Cl N₅ O
Molecular Weight	303.747
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNc1nc(Cl)nc2n(Cc3ccccc3OC)cnc12
SMILES	OpenEye OEToolkits	2.0.7	CNc1c2c(nc(n1)Cl)n(cn2)Cc3ccccc3OC
Canonical SMILES	CACTVS	3.385	CNc1nc(Cl)nc2n(Cc3ccccc3OC)cnc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	CNc1c2c(nc(n1)Cl)n(cn2)Cc3ccccc3OC
InChI	InChI	1.06	InChI=1S/C14H14ClN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)7-9-5-3-4-6-10(9)21-2/h3-6,8H,7H2,1-2H3,(H,16,18,19)
InChIKey	InChI	1.06	LRWSDRDVQLGOLD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	169449352

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.