6WD
Summary
| 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 |
| Formula: | C15 H14 F2 N4 S |
| Formal charge: | 0 |
| Formula weight: | 320.36 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | AHFBBIPUKVCJEP-ZFWWWQNUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(C[C@H](SC(=N1)N)c2cncnc2)c3ccc(F)cc3F |
| SMILES | CACTVS | 3.385 | C[C]1(C[CH](SC(=N1)N)c2cncnc2)c3ccc(F)cc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | C[C@]1(C[C@H](SC(=N1)N)c2cncnc2)c3ccc(cc3F)F |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC1(CC(SC(=N1)N)c2cncnc2)c3ccc(cc3F)F |
