XTN

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

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

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Chemical Details

Formal Charge0
Atom Count18
Chiral Atom Count0
Bond Count19
Aromatic Bond Count0
2D diagram of XTN

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Chemical Component Summary

Name2-amino-1,5-dihydropteridine-4,6-dione
SynonymsXanthopterin
Systematic Name (OpenEye OEToolkits)2-azanyl-1,5-dihydropteridine-4,6-dione
FormulaC6 H5 N5 O2
Molecular Weight179.136
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1C=NC2=C(N1)C(=O)N=C(N)N2
SMILESCACTVS3.370NC1=NC(=O)C2=C(N1)N=CC(=O)N2
SMILESOpenEye OEToolkits1.7.0C1=NC2=C(C(=O)N=C(N2)N)NC1=O
Canonical SMILESCACTVS3.370 NC1=NC(=O)C2=C(N1)N=CC(=O)N2
Canonical SMILESOpenEye OEToolkits1.7.0 C1=NC2=C(C(=O)N=C(N2)N)NC1=O
InChIInChI1.03 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)
InChIKeyInChI1.03 VURKRJGMSKJIQX-UHFFFAOYSA-N

Related Resource References

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