PDB CCD ID: | BAU |
Number of entries in BioLiP: | 32 |
Chemical formula: | C14 H16 N2 O4 |
InChI: | InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19) |
InChIKey: | SPJAGILXQBHHSZ-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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ACDLabs 10.04 | O=C1C(=CN(C(=O)N1)COCCO)Cc2ccccc2 | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO | CACTVS 3.341 | OCCOCN1C=C(Cc2ccccc2)C(=O)NC1=O |
|
Name: | 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE |
ChEMBL: | CHEMBL17432 |
DrugBank: | DB07437 |