ERO
5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Created: | 2012-11-19 |
Last modified: | 2021-03-01 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 19 |
Chiral Atom Count | 0 |
Bond Count | 19 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
Synonyms | 5-vinyl-orotic acid |
Systematic Name (OpenEye OEToolkits) | 5-ethenyl-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid |
Formula | C7 H6 N2 O4 |
Molecular Weight | 182.134 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC(C(=O)O)=C(C(=O)N1)/C=C |
SMILES | CACTVS | 3.370 | OC(=O)C1=C(C=C)C(=O)NC(=O)N1 |
SMILES | OpenEye OEToolkits | 1.7.6 | C=CC1=C(NC(=O)NC1=O)C(=O)O |
Canonical SMILES | CACTVS | 3.370 | OC(=O)C1=C(C=C)C(=O)NC(=O)N1 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | C=CC1=C(NC(=O)NC1=O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C7H6N2O4/c1-2-3-4(6(11)12)8-7(13)9-5(3)10/h2H,1H2,(H,11,12)(H2,8,9,10,13) |
InChIKey | InChI | 1.03 | HSXVSUXAHMUYQD-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 137349283 |