P6M
Summary
| Name: | (4S,6R)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine |
| Formula: | C17 H20 F5 N3 S |
| Formal charge: | 0 |
| Formula weight: | 393.418 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S,6R)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine |
| OpenEye OEToolkits | 2.0.6 | (4~{S},6~{R})-4-[2,4-bis(fluoranyl)-5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]phenyl]-4,6-dimethyl-5,6-dihydro-1,3-thiazin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc2cc(F)c(CNC1(C(F)(F)F)CC1)cc2C3(C)N=C(SC(C3)C)N |
| InChI | InChI | 1.03 | InChI=1S/C17H20F5N3S/c1-9-7-15(2,25-14(23)26-9)11-5-10(12(18)6-13(11)19)8-24-16(3-4-16)17(20,21)22/h5-6,9,24H,3-4,7-8H2,1-2H3,(H2,23,25)/t9-,15+/m1/s1 |
| InChIKey | InChI | 1.03 | ZQULGQNNJUBPOZ-PSLIRLAXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1C[C@](C)(N=C(N)S1)c2cc(CNC3(CC3)C(F)(F)F)c(F)cc2F |
| SMILES | CACTVS | 3.385 | C[CH]1C[C](C)(N=C(N)S1)c2cc(CNC3(CC3)C(F)(F)F)c(F)cc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]1C[C@@](N=C(S1)N)(C)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1CC(N=C(S1)N)(C)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F |
