YGL

2-amino-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one

Created:	2014-01-15
Last modified:	2015-01-21

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1 entries where YGL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	17

2D diagram of YGL

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Chemical Component Summary
Name	2-amino-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
Systematic Name (OpenEye OEToolkits)	2-azanyl-5,6-diphenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Formula	C₁₈ H₁₄ N₄ O
Molecular Weight	302.33
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1c2c(c(nc2N=C(N)N1)c3ccccc3)c4ccccc4
SMILES	CACTVS	3.385	NC1=Nc2[nH]c(c3ccccc3)c(c4ccccc4)c2C(=O)N1
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)c2c3c([nH]c2c4ccccc4)N=C(NC3=O)N
Canonical SMILES	CACTVS	3.385	NC1=Nc2[nH]c(c3ccccc3)c(c4ccccc4)c2C(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)c2c3c([nH]c2c4ccccc4)N=C(NC3=O)N
InChI	InChI	1.03	InChI=1S/C18H14N4O/c19-18-21-16-14(17(23)22-18)13(11-7-3-1-4-8-11)15(20-16)12-9-5-2-6-10-12/h1-10H,(H4,19,20,21,22,23)
InChIKey	InChI	1.03	XTJRPOFKSXCKPF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135566678, 86580357
ChEMBL	CHEMBL3318808

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.