W4S

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

Created:	2020-09-29
Last modified:	2020-12-16

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1 entries where W4S is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	10

2D diagram of W4S

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Chemical Component Summary
Name	7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Systematic Name (OpenEye OEToolkits)	7-methylpyrrolo[2,3-d]pyrimidin-4-amine
Formula	C₇ H₈ N₄
Molecular Weight	148.165
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cn2ccc1c(ncnc12)N
SMILES	CACTVS	3.385	Cn1ccc2c(N)ncnc12
SMILES	OpenEye OEToolkits	2.0.7	Cn1ccc2c1ncnc2N
Canonical SMILES	CACTVS	3.385	Cn1ccc2c(N)ncnc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cn1ccc2c1ncnc2N
InChI	InChI	1.03	InChI=1S/C7H8N4/c1-11-3-2-5-6(8)9-4-10-7(5)11/h2-4H,1H3,(H2,8,9,10)
InChIKey	InChI	1.03	KSOREMDAQHJJKY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	265827

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.