QYB

3-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

Created:	2020-08-20
Last modified:	2021-06-30

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1 entries where QYB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	11

2D diagram of QYB

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Chemical Component Summary
Name	3-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
Synonyms	3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
Systematic Name (OpenEye OEToolkits)	3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
Formula	C₁₁ H₈ N₄ O
Molecular Weight	212.207
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1NC=Nc2n[nH]c(c3ccccc3)c12
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2c3c(n[nH]2)N=CNC3=O
Canonical SMILES	CACTVS	3.385	O=C1NC=Nc2n[nH]c(c3ccccc3)c12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2c3c(n[nH]2)N=CNC3=O
InChI	InChI	1.03	InChI=1S/C11H8N4O/c16-11-8-9(7-4-2-1-3-5-7)14-15-10(8)12-6-13-11/h1-6H,(H2,12,13,14,15,16)
InChIKey	InChI	1.03	KCPLJPHQKPGNHT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135992006, 22418700
ChEMBL	CHEMBL2432026

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