| PDB CCD ID: | 08W |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H13 F3 N6 O5 S |
| InChI: | InChI=1S/C15H13F3N6O5S/c1-19-12(25)10-5-23(6-20-10)11-3-7-9(4-8(11)15(16,17)18)21-14(27)24(13(7)26)22-30(2,28)29/h3-6,22H,1-2H3,(H,19,25)(H,21,27) |
| InChIKey: | HFRCANFHOYZAQE-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.2 | CNC(=O)c1cn(cn1)c2cc3c(cc2C(F)(F)F)NC(=O)N(C3=O)NS(=O)(=O)C | | ACDLabs 12.01 | O=C(NC)c3ncn(c2c(cc1c(C(=O)N(C(=O)N1)NS(=O)(=O)C)c2)C(F)(F)F)c3 | | CACTVS 3.370 | CNC(=O)c1cn(cn1)c2cc3c(NC(=O)N(N[S](C)(=O)=O)C3=O)cc2C(F)(F)F |
|
| Name: | N-methyl-1-{3-[(methylsulfonyl)amino]-2,4-dioxo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-6-yl}-1H-imidazole-4-carboxamide |
| ChEMBL: | CHEMBL1940324 |
| ZINC: | ZINC000073221748 |
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