W8G

4-thiomorpholino-7H-pyrrolo[2,3-d]pyrimidin-2-amine

Created:	2014-01-15
Last modified:	2015-01-21

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1 entries where W8G is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	10

2D diagram of W8G

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Chemical Component Summary
Name	4-thiomorpholino-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Systematic Name (OpenEye OEToolkits)	4-thiomorpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Formula	C₁₀ H₁₃ N₅ S
Molecular Weight	235.309
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(nc3c(c1N2CCSCC2)ccn3)N
SMILES	CACTVS	3.385	Nc1nc2[nH]ccc2c(n1)N3CCSCC3
SMILES	OpenEye OEToolkits	1.7.6	c1c[nH]c2c1c(nc(n2)N)N3CCSCC3
Canonical SMILES	CACTVS	3.385	Nc1nc2[nH]ccc2c(n1)N3CCSCC3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1c[nH]c2c1c(nc(n2)N)N3CCSCC3
InChI	InChI	1.03	InChI=1S/C10H13N5S/c11-10-13-8-7(1-2-12-8)9(14-10)15-3-5-16-6-4-15/h1-2H,3-6H2,(H3,11,12,13,14)
InChIKey	InChI	1.03	GXASLOKGYHGRQW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	86580348
ChEMBL	CHEMBL3318487

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.