| PDB CCD ID: | 6WD |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H14 F2 N4 S |
| InChI: | InChI=1S/C15H14F2N4S/c1-15(11-3-2-10(16)4-12(11)17)5-13(22-14(18)21-15)9-6-19-8-20-7-9/h2-4,6-8,13H,5H2,1H3,(H2,18,21)/t13-,15-/m0/s1 |
| InChIKey: | AHFBBIPUKVCJEP-ZFWWWQNUSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.5 | C[C@]1(C[C@H](SC(=N1)N)c2cncnc2)c3ccc(cc3F)F | | CACTVS 3.385 | C[C]1(C[CH](SC(=N1)N)c2cncnc2)c3ccc(F)cc3F | | OpenEye OEToolkits 2.0.5 | CC1(CC(SC(=N1)N)c2cncnc2)c3ccc(cc3F)F | | CACTVS 3.385 | C[C@]1(C[C@H](SC(=N1)N)c2cncnc2)c3ccc(F)cc3F |
|
| Name: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine |
| ChEMBL: | CHEMBL4444341 |
| ZINC: | ZINC000221397873 |
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