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Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-[(4-fluorophenyl)amino]-5,6-dihydro-1,3-dimethyl-6-(4-methylphenyl)-
SpectraBase Compound ID 3pqyuJIKu3k
InChI InChI=1S/C21H20FN5O2/c1-13-4-10-16(11-5-13)27-12-17-18(25(2)21(29)26(3)19(17)28)24-20(27)23-15-8-6-14(22)7-9-15/h4-11H,12H2,1-3H3,(H,23,24)
InChIKey MTRHXMVZOYTLKM-UHFFFAOYSA-N
Mol Weight 393.42 g/mol
Molecular Formula C21H20FN5O2
Exact Mass 393.160103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IT07TZIVyyC
Name 7-(4-Fluoro-phenyl)amino-1,3-dimethyl-6-(4-tolyl)-1,2,3,4,5,6-hexahydro-pyrimido(4,5-D)pyrimidine
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H20FN5O2
InChI InChI=1S/C21H20FN5O2/c1-13-4-10-16(11-5-13)27-12-17-18(25(2)21(29)26(3)19(17)28)24-20(27)23-15-8-6-14(22)7-9-15/h4-11H,12H2,1-3H3,(H,23,24)
InChIKey MTRHXMVZOYTLKM-UHFFFAOYSA-N
Instrument Name Bruker AC-200
Literature Reference P. Molina, M.J. Vilaplana, J. Perez, Tetrahedron 46, 7855 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3