| PDB CCD ID: | W3R |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C19 H16 N4 O2 |
| InChI: | InChI=1S/C19H16N4O2/c1-12(13-6-3-2-4-7-13)23-11-16(18(24)21-19(23)25)15-9-5-8-14-10-20-22-17(14)15/h2-12H,1H3,(H,20,22)(H,21,24,25)/t12-/m0/s1 |
| InChIKey: | NGIUEWQDJPVTOK-LBPRGKRZSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(c1ccccc1)N2C=C(C(=O)NC2=O)c3cccc4c3[nH]nc4 | | CACTVS 3.385 | C[C@H](N1C=C(C(=O)NC1=O)c2cccc3cn[nH]c23)c4ccccc4 | | OpenEye OEToolkits 2.0.7 | C[C@@H](c1ccccc1)N2C=C(C(=O)NC2=O)c3cccc4c3[nH]nc4 | | CACTVS 3.385 | C[CH](N1C=C(C(=O)NC1=O)c2cccc3cn[nH]c23)c4ccccc4 |
|
| Name: | 5-(1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione |
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