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CHEBI:120020 - 4-[[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-yl-6-purinyl]amino]methyl]benzenesulfonamide

ChEBI IDCHEBI:120020
ChEBI Name4-[[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-yl-6-purinyl]amino]methyl]benzenesulfonamide
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FormulaC20H29N7O3S
Net Charge0
Average Mass447.565
Monoisotopic Mass447.20526
SMILESCC(C)[C@H](CO)Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C20H29N7O3S/c1-12(2)16(10-28)24-20-25-18(17-19(26-20)27(11-23-17)13(3)4)22-9-14-5-7-15(8-6-14)31(21,29)30/h5-8,11-13,16,28H,9-10H2,1-4H3,(H2,21,29,30)(H2,22,24,25,26)/t16-/m0/s1
InChIKeyNJODIZOLKGNJRX-INIZCTEOSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-yl-6-purinyl]amino]methyl]benzenesulfonamide (CHEBI:120020) is a thiopurine (CHEBI:35666)
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