QZW

4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine

Created:	2020-08-24
Last modified:	2021-06-30

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1 entries where QZW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	21

2D diagram of QZW

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Chemical Component Summary
Name	4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
Systematic Name (OpenEye OEToolkits)	4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
Formula	C₁₇ H₁₅ N₅ O S
Molecular Weight	337.399
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1nc2[nH]cc(c3ccnc(N)c3)c2c(OCc4cscc4)n1
SMILES	OpenEye OEToolkits	2.0.7	Cc1nc2c(c(c[nH]2)c3ccnc(c3)N)c(n1)OCc4ccsc4
Canonical SMILES	CACTVS	3.385	Cc1nc2[nH]cc(c3ccnc(N)c3)c2c(OCc4cscc4)n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1nc2c(c(c[nH]2)c3ccnc(c3)N)c(n1)OCc4ccsc4
InChI	InChI	1.03	InChI=1S/C17H15N5OS/c1-10-21-16-15(17(22-10)23-8-11-3-5-24-9-11)13(7-20-16)12-2-4-19-14(18)6-12/h2-7,9H,8H2,1H3,(H2,18,19)(H,20,21,22)
InChIKey	InChI	1.03	BWRQNVDGLTUELI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135336127

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.