13V

4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl}-2-methylbut-3-yn-2-ol


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Chemical Component Summary

Name4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl}-2-methylbut-3-yn-2-ol
Identifiers4-[3-[2-azanyl-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl]-2-methyl-but-3-yn-2-ol
FormulaC20 H22 N4 O3
Molecular Weight366.414
TypeNON-POLYMER
Isomeric SMILESCC(C)(C#Cc1ccc2c(c1)c(c[nH]2)c3c(cnc(n3)N)OCCOC)O
InChIInChI=1S/C20H22N4O3/c1-20(2,25)7-6-13-4-5-16-14(10-13)15(11-22-16)18-17(27-9-8-26-3)12-23-19(21)24-18/h4-5,10-12,22,25H,8-9H2,1-3H3,(H2,21,23,24)
InChIKeyZZIZLABGKZWVAW-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count0
Bond Count51
Aromatic Bond Count16

Related Resource References

Resource NameReference
Pharos CHEMBL2334589
PubChem 58221375
ChEMBL CHEMBL2334589