5QU
Summary
| Name: | (2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine |
| Formula: | C19 H19 F2 N5 O S |
| Formal charge: | 0 |
| Formula weight: | 403.449 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H19F2N5OS/c1-9-18(10(2)27-26-9)17-5-16(25-19(22)28-17)13-3-12(14(20)4-15(13)21)11-6-23-8-24-7-11/h3-4,6-8,16-17,19,25H,5,22H2,1-2H3/t16-,17-,19+/m0/s1 |
| InChIKey | InChI | 1.03 | QXXCXVMLHLDXDN-JENIJYKNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(C)c1[C@@H]2C[C@H](N[C@@H](N)S2)c3cc(c(F)cc3F)c4cncnc4 |
| SMILES | CACTVS | 3.385 | Cc1onc(C)c1[CH]2C[CH](N[CH](N)S2)c3cc(c(F)cc3F)c4cncnc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1c(c(on1)C)[C@@H]2C[C@H](N[C@H](S2)N)c3cc(c(cc3F)F)c4cncnc4 |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1c(c(on1)C)C2CC(NC(S2)N)c3cc(c(cc3F)F)c4cncnc4 |
