U8P
tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate
Find entries where: U8P
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate |
Identifiers | ~{tert}-butyl 4-[[4-[1-[3-(cyanomethyl)-1-ethylsulfonyl-azetidin-3-yl]pyrazol-4-yl]-7~{H}-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzoate |
Formula | C27 H30 N8 O4 S |
Molecular Weight | 562.643 |
Type | NON-POLYMER |
Isomeric SMILES | CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4nc(n3)Nc5ccc(cc5)C(=O)OC(C)(C)C |
InChI | InChI=1S/C27H30N8O4S/c1-5-40(37,38)34-16-27(17-34,11-12-28)35-15-19(14-30-35)22-21-10-13-29-23(21)33-25(32-22)31-20-8-6-18(7-9-20)24(36)39-26(2,3)4/h6-10,13-15H,5,11,16-17H2,1-4H3,(H2,29,31,32,33) |
InChIKey | XPNMPGAYHLKXMY-UHFFFAOYSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 70 |
Chiral Atom Count | 0 |
Bond Count | 74 |
Aromatic Bond Count | 21 |
Related Resource References
Resource Name | Reference |
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PubChem | 155599226 |