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(5E)-5-(1-{[2-(1H-indol-3-yl)ethyl]amino}ethylidene)-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 2sJ8F7xDCkT
InChI InChI=1S/C22H20N4O3/c1-14(23-12-11-15-13-24-18-10-6-5-9-17(15)18)19-20(27)25-22(29)26(21(19)28)16-7-3-2-4-8-16/h2-10,13,23-24H,11-12H2,1H3,(H,25,27,29)/b19-14+
InChIKey NOXFWGOISWYROR-XMHGGMMESA-N
Mol Weight 388.43 g/mol
Molecular Formula C22H20N4O3
Exact Mass 388.153541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2tAhkaohRIE
Name (5E)-5-(1-{[2-(1H-Indol-3-yl)ethyl]amino}ethylidene)-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using HOSE algorithm
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Exact Mass 388.153540517 u
Formula C22H20N4O3
InChI InChI=1S/C22H20N4O3/c1-14(23-12-11-15-13-24-18-10-6-5-9-17(15)18)19-20(27)25-22(29)26(21(19)28)16-7-3-2-4-8-16/h2-10,13,23-24H,11-12H2,1H3,(H,25,27,29)/b19-14+
InChIKey NOXFWGOISWYROR-XMHGGMMESA-N
Molecular Weight 388.427 g/mol
SMILES N(\C(=C\1C(N(C(NC1=O)=O)C1=CC=CC=C1)=O)C)CCC1=CNC2=C1C=CC=C2