5GL

4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one

Created:	2015-09-24
Last modified:	2016-09-28

Find Related PDB Entry
2 entries where 5GL is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	0

2D diagram of 5GL

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one
Systematic Name (OpenEye OEToolkits)	4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one
Formula	C₁₃ H₂₀ N₂ O S
Molecular Weight	252.376
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCN1C(=O)N=C(SC(C)C)C2=C1CCC2
SMILES	OpenEye OEToolkits	2.0.4	CCCN1C2=C(CCC2)C(=NC1=O)SC(C)C
Canonical SMILES	CACTVS	3.385	CCCN1C(=O)N=C(SC(C)C)C2=C1CCC2
Canonical SMILES	OpenEye OEToolkits	2.0.4	CCCN1C2=C(CCC2)C(=NC1=O)SC(C)C
InChI	InChI	1.03	InChI=1S/C13H20N2OS/c1-4-8-15-11-7-5-6-10(11)12(14-13(15)16)17-9(2)3/h9H,4-8H2,1-3H3
InChIKey	InChI	1.03	KUWKRQXLULNLGL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	35574508

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.