| PDB CCD ID: | 591 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H19 N7 O |
| InChI: | InChI=1S/C19H19N7O/c1-3-26-11-16(10-23-26)19(17(27)25(2)18(20)24-19)15-6-4-5-13(7-15)14-8-21-12-22-9-14/h4-12H,3H2,1-2H3,(H2,20,24)/t19-/m0/s1 |
| InChIKey: | DNDFMOOQRXKYQL-IBGZPJMESA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | CCn1cc(cn1)[C]2(N=C(N)N(C)C2=O)c3cccc(c3)c4cncnc4 | | CACTVS 3.370 | CCn1cc(cn1)[C@@]2(N=C(N)N(C)C2=O)c3cccc(c3)c4cncnc4 | | ACDLabs 12.01 | O=C4N(C(=NC4(c1cn(nc1)CC)c3cccc(c2cncnc2)c3)N)C | | OpenEye OEToolkits 1.7.2 | CCn1cc(cn1)C2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4 | | OpenEye OEToolkits 1.7.2 | CCn1cc(cn1)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4 |
|
| Name: | (5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one;
WAY-256591 |
| ZINC: | ZINC000072181808 |
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