RW6

2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dimethoxy-3~{H}-quinazolin-4-one

Created:	2022-12-07
Last modified:	2023-09-13

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1 entries where RW6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	11

2D diagram of RW6

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Chemical Component Summary
Name	2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dimethoxy-3~{H}-quinazolin-4-one
Systematic Name (OpenEye OEToolkits)	2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dimethoxy-3~{H}-quinazolin-4-one
Formula	C₁₈ H₁₉ N₃ O₃ S
Molecular Weight	357.427
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cc2N=C(CN3CCc4sccc4C3)NC(=O)c2cc1OC
SMILES	OpenEye OEToolkits	3.1.0.0	COc1cc2c(cc1OC)N=C(NC2=O)CN3CCc4c(ccs4)C3
Canonical SMILES	CACTVS	3.385	COc1cc2N=C(CN3CCc4sccc4C3)NC(=O)c2cc1OC
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	COc1cc2c(cc1OC)N=C(NC2=O)CN3CCc4c(ccs4)C3
InChI	InChI	1.06	InChI=1S/C18H19N3O3S/c1-23-14-7-12-13(8-15(14)24-2)19-17(20-18(12)22)10-21-5-3-16-11(9-21)4-6-25-16/h4,6-8H,3,5,9-10H2,1-2H3,(H,19,20,22)
InChIKey	InChI	1.06	OKUZLQSVACVDFQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	18137974, 135667559

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.