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1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol


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Chemical Component Summary

Name1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol
Identifiers1-[5-[4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-5-propyl-1,3-thiazol-2-yl]-2-methoxy-phenoxy]-2-methyl-propan-2-ol
FormulaC22 H29 N5 O3 S2
Molecular Weight475.627
TypeNON-POLYMER
Isomeric SMILESCCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3nc(cc(n3)N)N
InChIInChI=1S/C22H29N5O3S2/c1-5-6-17-14(11-31-21-26-18(23)10-19(24)27-21)25-20(32-17)13-7-8-15(29-4)16(9-13)30-12-22(2,3)28/h7-10,28H,5-6,11-12H2,1-4H3,(H4,23,24,26,27)
InChIKeyPWASXBOUTAWHOZ-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count0
Bond Count63
Aromatic Bond Count17

Related Resource References

Resource NameReference
Pharos CHEMBL2426573
PubChem 71710912
ChEMBL CHEMBL2426573