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6-AMINO-1,3-DIPROPYL-5-(4-IODOPHENYL)-CARBOXAMIDOURACIL
SpectraBase Compound ID EyLOIAzyPL7
InChI InChI=1S/C17H21IN4O3/c1-3-9-21-14(19)13(16(24)22(10-4-2)17(21)25)20-15(23)11-5-7-12(18)8-6-11/h5-8H,3-4,9-10,19H2,1-2H3,(H,20,23)
InChIKey NKXZKMUHQCEIFJ-UHFFFAOYSA-N
Mol Weight 456.28 g/mol
Molecular Formula C17H21IN4O3
Exact Mass 456.065836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5K2CI7RNmzZ
Name 6-AMINO-1,3-DIPROPYL-5-(4-IODOPHENYL)-CARBOXAMIDOURACIL
Compound Number 16DH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21IN4O3
InChI InChI=1S/C17H21IN4O3/c1-3-9-21-14(19)13(16(24)22(10-4-2)17(21)25)20-15(23)11-5-7-12(18)8-6-11/h5-8H,3-4,9-10,19H2,1-2H3,(H,20,23)
InChIKey NKXZKMUHQCEIFJ-UHFFFAOYSA-N
Literature Reference Author A.M.HAYALLAH,J.SANDOVAL-RAMIREZ,U.REITH,U.SCHOBERT,B.PREISS, B.SCHUMACHER,J.W.DAL
Literature Reference Citation J.MED.CHEM.,45,1500(2002)
Literature Reference DOI 10.1021/jm011049y
Molecular Weight 456.283 g/mol
Sample ID 64298
Solvent DMSO-D6