JHW

8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one

Created:	2019-02-27
Last modified:	2020-03-18

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1 entries where JHW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	16

2D diagram of JHW

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Chemical Component Summary
Name	8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one
Systematic Name (OpenEye OEToolkits)	8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one
Formula	C₁₇ H₁₂ N₄ O S
Molecular Weight	320.368
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1N(C=Nc2ccc3nc(sc3c12)c4cccnc4)C5CC5
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cnc1)c2nc3ccc4c(c3s2)C(=O)N(C=N4)C5CC5
Canonical SMILES	CACTVS	3.385	O=C1N(C=Nc2ccc3nc(sc3c12)c4cccnc4)C5CC5
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cnc1)c2nc3ccc4c(c3s2)C(=O)N(C=N4)C5CC5
InChI	InChI	1.03	InChI=1S/C17H12N4OS/c22-17-14-12(19-9-21(17)11-3-4-11)5-6-13-15(14)23-16(20-13)10-2-1-7-18-8-10/h1-2,5-9,11H,3-4H2
InChIKey	InChI	1.03	UZKITQOBTXEXSY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	145997893

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.