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6-AMINO-3-BUTYL-5-(4-CYANOMETHYBENZOYL)-AMIDOURACIL
SpectraBase Compound ID 86xxeAPaVSd
InChI InChI=1S/C17H19N5O3/c1-2-3-10-22-16(24)13(14(19)21-17(22)25)20-15(23)12-6-4-11(5-7-12)8-9-18/h4-7H,2-3,8,10,19H2,1H3,(H,20,23)(H,21,25)
InChIKey IIJUSMDPNVYKJI-UHFFFAOYSA-N
Mol Weight 341.37 g/mol
Molecular Formula C17H19N5O3
Exact Mass 341.148789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2TxSis1Zhgv
Name 6-AMINO-3-BUTYL-5-(4-CYANOMETHYBENZOYL)-AMIDOURACIL
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H19N5O3
InChI InChI=1S/C17H19N5O3/c1-2-3-10-22-16(24)13(14(19)21-17(22)25)20-15(23)12-6-4-11(5-7-12)8-9-18/h4-7H,2-3,8,10,19H2,1H3,(H,20,23)(H,21,25)
InChIKey IIJUSMDPNVYKJI-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 341.370 g/mol
Sample ID 64299
Solvent DMSO-D6