XTN

2-amino-1,5-dihydropteridine-4,6-dione

Created:	2010-02-28
Last modified:	2020-06-05

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1 entries where XTN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	0

2D diagram of XTN

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Chemical Component Summary
Name	2-amino-1,5-dihydropteridine-4,6-dione
Synonyms	Xanthopterin
Systematic Name (OpenEye OEToolkits)	2-azanyl-1,5-dihydropteridine-4,6-dione
Formula	C₆ H₅ N₅ O₂
Molecular Weight	179.136
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C=NC2=C(N1)C(=O)N=C(N)N2
SMILES	CACTVS	3.370	NC1=NC(=O)C2=C(N1)N=CC(=O)N2
SMILES	OpenEye OEToolkits	1.7.0	C1=NC2=C(C(=O)N=C(N2)N)NC1=O
Canonical SMILES	CACTVS	3.370	NC1=NC(=O)C2=C(N1)N=CC(=O)N2
Canonical SMILES	OpenEye OEToolkits	1.7.0	C1=NC2=C(C(=O)N=C(N2)N)NC1=O
InChI	InChI	1.03	InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13)
InChIKey	InChI	1.03	VURKRJGMSKJIQX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8397, 5315337, 135403800
ChEMBL	CHEMBL1236854
CCDC/CSD	XANOPT

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