PDB CCD ID: | 2Y7 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C19 H22 F N5 O2 S2 |
InChI: | 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: | PLRSHXVGFPURIR-NSHDSACASA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | COc1ccc(cc1OCCF)c2sc(C)c(n2)[C@H](C)Sc3nc(N)cc(N)n3 | OpenEye OEToolkits 1.7.6 | Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)C(C)Sc3nc(cc(n3)N)N | ACDLabs 12.01 | FCCOc1c(OC)ccc(c1)c2nc(c(s2)C)C(Sc3nc(N)cc(n3)N)C | OpenEye OEToolkits 1.7.6 | Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@H](C)Sc3nc(cc(n3)N)N | CACTVS 3.385 | COc1ccc(cc1OCCF)c2sc(C)c(n2)[CH](C)Sc3nc(N)cc(N)n3 |
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Name: | (S)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine; 2-{[(1S)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine |
ZINC: | ZINC000224698418 |