QY8

2-amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one

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

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1 entries where QY8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	5

2D diagram of QY8

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Chemical Component Summary
Name	2-amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
Synonyms	2-azanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Systematic Name (OpenEye OEToolkits)	2-azanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Formula	C₆ H₆ N₄ O
Molecular Weight	150.138
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC1=Nc2[nH]ccc2C(=O)N1
SMILES	OpenEye OEToolkits	2.0.7	c1c[nH]c2c1C(=O)NC(=N2)N
Canonical SMILES	CACTVS	3.385	NC1=Nc2[nH]ccc2C(=O)N1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c[nH]c2c1C(=O)NC(=N2)N
InChI	InChI	1.03	InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)
InChIKey	InChI	1.03	OLAFFPNXVJANFR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	96253, 135408714
CCDC/CSD	WUGCEI, NULCII

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