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7-(4-Chloro-phenyl)imino-1,3-dimethyl-6-(4-tolyl)-2,4-dioxo-1,2,3,4,6,7-hexahydro-pyrimido(4,5-D)pyrimidine
SpectraBase Compound ID 5MoDrHAPHyG
InChI InChI=1S/C21H18ClN5O2/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/h4-12H,1-3H3/b23-20-
InChIKey CDPAUTWPYGYCAW-ATJXCDBQSA-N
Mol Weight 407.86 g/mol
Molecular Formula C21H18ClN5O2
Exact Mass 407.114903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7kRV3EVJuhp
Name 7-(4-Chloro-phenyl)imino-1,3-dimethyl-6-(4-tolyl)-2,4-dioxo-1,2,3,4,6,7-hexahydro-pyrimido(4,5-D)pyrimidine
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Formula C21H18ClN5O2
InChI InChI=1S/C21H18ClN5O2/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/h4-12H,1-3H3/b23-20-
InChIKey CDPAUTWPYGYCAW-ATJXCDBQSA-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