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N-(6-iodo-4-keto-7-tosyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethyl-propionamide
SpectraBase Compound ID CiEm4v3h6X7
InChI InChI=1S/C18H19IN4O4S/c1-10-5-7-11(8-6-10)28(26,27)23-13(19)9-12-14(23)20-17(21-15(12)24)22-16(25)18(2,3)4/h5-9H,1-4H3,(H2,20,21,22,24,25)
InChIKey XKZJGTCFFFKDTE-UHFFFAOYSA-N
Mol Weight 514.34 g/mol
Molecular Formula C18H19IN4O4S
Exact Mass 514.017171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QyF46heNsj
Name N-(6-iodo-4-keto-7-tosyl-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethyl-propionamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19IN4O4S
InChI InChI=1S/C18H19IN4O4S/c1-10-5-7-11(8-6-10)28(26,27)23-13(19)9-12-14(23)20-17(21-15(12)24)22-16(25)18(2,3)4/h5-9H,1-4H3,(H2,20,21,22,24,25)
InChIKey XKZJGTCFFFKDTE-UHFFFAOYSA-N
Molecular Weight 514.338 g/mol
SMILES N1C(c2cc([n](c2N=C1NC(C(C)(C)C)=O)S(c1ccc(cc1)C)(=O)=O)I)=O
SPLASH splash10-03ds-0459030000-ffc09cbf36beef68e30a
Source of Spectrum J-61-1264-16
Synonyms N-[6-iodanyl-7-(4-methylphenyl)sulfonyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-2-yl]-2,2-dimethyl-propanamide N-[6-iodo-4-oxo-7-(p-tolylsulfonyl)-1H-pyrrolo[2,3-d]pyrimidin-2-yl]-2,2-dimethyl-propanamide N-[6-iodo-7-(4-methylphenyl)sulfonyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide
Wiley ID 1401026