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7-(4-CHLOROPHENYL)-AMINO-5,6-DIHYDRO-1,3-DIMETHYL-5,6-DIPHENYL-PYRIMIDO-[4,5-D]-PYRIMIDINE-1,3-(2H,4H)-DIONE
SpectraBase Compound ID 8MXRBhKWscq
InChI InChI=1S/C26H22ClN5O2/c1-30-23-21(24(33)31(2)26(30)34)22(17-9-5-3-6-10-17)32(20-11-7-4-8-12-20)25(29-23)28-19-15-13-18(27)14-16-19/h3-16,22H,1-2H3,(H,28,29)
InChIKey DTJDCRFBEBSKCU-UHFFFAOYSA-N
Mol Weight 471.95 g/mol
Molecular Formula C26H22ClN5O2
Exact Mass 471.146203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EMppXQffsDo
Name 7-(4-CHLOROPHENYL)-AMINO-5,6-DIHYDRO-1,3-DIMETHYL-5,6-DIPHENYL-PYRIMIDO-[4,5-D]-PYRIMIDINE-1,3-(2H,4H)-DIONE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H22ClN5O2
InChI InChI=1S/C26H22ClN5O2/c1-30-23-21(24(33)31(2)26(30)34)22(17-9-5-3-6-10-17)32(20-11-7-4-8-12-20)25(29-23)28-19-15-13-18(27)14-16-19/h3-16,22H,1-2H3,(H,28,29)
InChIKey DTJDCRFBEBSKCU-UHFFFAOYSA-N
Literature Reference Author H.WAMHOFF,A.SCHMIDT
Literature Reference Citation HETEROCYCLES,35,1055(1993)
Literature Reference DOI 10.3987/COM-92-S(T)102
Molecular Weight 471.946 g/mol
Solvent CDCl3
Source File Reference UWCS16510