LUZ
pteridine-2,4(1H,3H)-dione
Created: | 2008-10-14 |
Last modified: | 2020-05-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 16 |
Chiral Atom Count | 0 |
Bond Count | 17 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | pteridine-2,4(1H,3H)-dione |
Synonyms | Lumazine; 2,4-dihydroxypteridine; 2,4-pteridinediol |
Systematic Name (OpenEye OEToolkits) | 1H-pteridine-2,4-dione |
Formula | C6 H4 N4 O2 |
Molecular Weight | 164.122 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2c1nccnc1NC(=O)N2 |
SMILES | CACTVS | 3.341 | O=C1NC(=O)c2nccnc2N1 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cnc2c(n1)C(=O)NC(=O)N2 |
Canonical SMILES | CACTVS | 3.341 | O=C1NC(=O)c2nccnc2N1 |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | c1cnc2c(n1)C(=O)NC(=O)N2 |
InChI | InChI | 1.03 | InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12) |
InChIKey | InChI | 1.03 | UYEUUXMDVNYCAM-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 10250, 5280577 |
ChEMBL | CHEMBL1234104 |
ChEBI | CHEBI:16489 |
CCDC/CSD | LUMAZH, TIJKAZ |