PDB CCD ID: | KX7 |
Number of entries in BioLiP: | 20 |
Chemical formula: | C16 H13 N3 O4 |
InChI: | InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21) |
InChIKey: | RCEFMOGVOYEGJN-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 2.0.7 | c1ccc(c(c1)N2CC=C(NC2=O)c3cccc(c3)[N+](=O)[O-])O | CACTVS 3.385 | Oc1ccccc1N2CC=C(NC2=O)c3cccc(c3)[N+]([O-])=O | ACDLabs 12.01 | C1C=C(NC(N1c2ccccc2O)=O)c3cc(ccc3)[N+]([O-])=O |
|
Name: | Icilin; 3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one |
ChEMBL: | CHEMBL258405 |
ZINC: | ZINC000000620751 |