VSF

5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Created:	2012-05-28
Last modified:	2013-05-01

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1 entries where VSF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	0
Bond Count	55
Aromatic Bond Count	22

2D diagram of VSF

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Chemical Component Summary
Name	5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Systematic Name (OpenEye OEToolkits)	7-(oxan-4-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
Formula	C₂₃ H₂₂ N₄ O₂
Molecular Weight	386.446
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(c1ccccc1)c5ccc(c2cn(c3ncnc(N)c23)C4CCOCC4)cc5
SMILES	CACTVS	3.370	Nc1ncnc2n(cc(c3ccc(Oc4ccccc4)cc3)c12)C5CCOCC5
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCOCC5
Canonical SMILES	CACTVS	3.370	Nc1ncnc2n(cc(c3ccc(Oc4ccccc4)cc3)c12)C5CCOCC5
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCOCC5
InChI	InChI	1.03	InChI=1S/C23H22N4O2/c24-22-21-20(14-27(23(21)26-15-25-22)17-10-12-28-13-11-17)16-6-8-19(9-7-16)29-18-4-2-1-3-5-18/h1-9,14-15,17H,10-13H2,(H2,24,25,26)
InChIKey	InChI	1.03	BCWVVERKADMJGG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	22736361
ChEMBL	CHEMBL296103

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