2YL

6-amino-4-phenyl-1,3,5-triazin-2(1H)-one

Created:	2014-04-17
Last modified:	2015-06-10

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1 entries where 2YL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

2D diagram of 2YL

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Chemical Component Summary
Name	6-amino-4-phenyl-1,3,5-triazin-2(1H)-one
Systematic Name (OpenEye OEToolkits)	6-azanyl-4-phenyl-1H-1,3,5-triazin-2-one
Formula	C₉ H₈ N₄ O
Molecular Weight	188.186
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1N=C(N=C(N)N1)c2ccccc2
SMILES	CACTVS	3.385	NC1=NC(=NC(=O)N1)c2ccccc2
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C2=NC(=O)NC(=N2)N
Canonical SMILES	CACTVS	3.385	NC1=NC(=NC(=O)N1)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)C2=NC(=O)NC(=N2)N
InChI	InChI	1.03	InChI=1S/C9H8N4O/c10-8-11-7(12-9(14)13-8)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13,14)
InChIKey	InChI	1.03	ZBKCUYOBOGCDKC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	20841, 135408760

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