XSH

~{N}-[(2~{R})-1-[4-[[2,4-bis(azanyl)quinazolin-5-yl]oxymethyl]piperidin-1-yl]-1-oxidanylidene-pent-4-yn-2-yl]ethanamide



Chemical Component Summary

Name~{N}-[(2~{R})-1-[4-[[2,4-bis(azanyl)quinazolin-5-yl]oxymethyl]piperidin-1-yl]-1-oxidanylidene-pent-4-yn-2-yl]ethanamide
Identifiers~{N}-[(2~{R})-1-[4-[[2,4-bis(azanyl)quinazolin-5-yl]oxymethyl]piperidin-1-yl]-1-oxidanylidene-pent-4-yn-2-yl]ethanamide
FormulaC21 H26 N6 O3
Molecular Weight410.47
TypeNON-POLYMER
Isomeric SMILESCC(=O)N[C@H](CC#C)C(=O)N1CCC(CC1)COc2cccc3c2c(nc(n3)N)N
InChIInChI=1S/C21H26N6O3/c1-3-5-16(24-13(2)28)20(29)27-10-8-14(9-11-27)12-30-17-7-4-6-15-18(17)19(22)26-21(23)25-15/h1,4,6-7,14,16H,5,8-12H2,2H3,(H,24,28)(H4,22,23,25,26)/t16-/m1/s1
InChIKeyKEUMDTOQJJKEPR-MRXNPFEDSA-N

Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count1
Bond Count58
Aromatic Bond Count11