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
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as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
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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 |
Formula | C21 H26 N6 O3 |
Molecular Weight | 410.47 |
Type | NON-POLYMER |
Isomeric SMILES | CC(=O)N[C@H](CC#C)C(=O)N1CCC(CC1)COc2cccc3c2c(nc(n3)N)N |
InChI | InChI=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 |
InChIKey | KEUMDTOQJJKEPR-MRXNPFEDSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 56 |
Chiral Atom Count | 1 |
Bond Count | 58 |
Aromatic Bond Count | 11 |