2Y7
Summary
| Name: | (S)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine |
| Synonyms: | 2-{[(1S)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine |
| Formula: | C19 H22 F N5 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 435.539 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{[(1S)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine |
| OpenEye OEToolkits | 1.7.6 | 2-[(1S)-1-[2-[3-(2-fluoranylethoxy)-4-methoxy-phenyl]-5-methyl-1,3-thiazol-4-yl]ethyl]sulfanylpyrimidine-4,6-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FCCOc1c(OC)ccc(c1)c2nc(c(s2)C)C(Sc3nc(N)cc(n3)N)C |
| InChI | InChI | 1.03 | InChI=1S/C19H22FN5O2S2/c1-10-17(11(2)29-19-23-15(21)9-16(22)24-19)25-18(28-10)12-4-5-13(26-3)14(8-12)27-7-6-20/h4-5,8-9,11H,6-7H2,1-3H3,(H4,21,22,23,24)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | PLRSHXVGFPURIR-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1OCCF)c2sc(C)c(n2)[C@H](C)Sc3nc(N)cc(N)n3 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1OCCF)c2sc(C)c(n2)[CH](C)Sc3nc(N)cc(N)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@H](C)Sc3nc(cc(n3)N)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)C(C)Sc3nc(cc(n3)N)N |
