2OQ

1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol


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Chemical Component Summary

Name1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol
Identifiers1-[2-[3-(4-azanyl-1,3,5-triazin-2-yl)-2-methyl-benzimidazol-5-yl]ethynyl]cyclohexan-1-ol
FormulaC19 H20 N6 O
Molecular Weight348.402
TypeNON-POLYMER
Isomeric SMILESCc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC4(CCCCC4)O
InChIInChI=1S/C19H20N6O/c1-13-23-15-6-5-14(7-10-19(26)8-3-2-4-9-19)11-16(15)25(13)18-22-12-21-17(20)24-18/h5-6,11-12,26H,2-4,8-9H2,1H3,(H2,20,21,22,24)
InChIKeyRSIUBEYNBJJYTG-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count49
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 60163745
ChEMBL CHEMBL3128050