| PDB CCD ID: | 0J5 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C8 H7 N5 O4 |
| InChI: | InChI=1S/C8H7N5O4/c9-8-10-6-4(7(17)11-8)5(16)2(12-13-6)1-3(14)15/h1H2,(H,14,15)(H4,9,10,11,13,16,17) |
| InChIKey: | JZIQGOZPIKSBKV-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(O)CC1=NNC=2N=C(NC(=O)C=2C1=O)N | | OpenEye OEToolkits 1.7.6 | C(C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O | | CACTVS 3.370 | NC1=NC2=C(C(=O)N1)C(=O)C(=NN2)CC(O)=O |
|
| Name: | (7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid |
| ZINC: | ZINC000095921347 |
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