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2-[[4-(TRICHLOROMETHYL)-PYRIMIDIN-2-YL]-AMINO]-3,4A,5,6,7,8A-HEXAHYDRO-4H-PYRANO-[2,3-D]-PYRIMIDIN-4-ONE
SpectraBase Compound ID HKZK6Ba1Fc7
InChI InChI=1S/C12H12Cl3N5O2/c13-12(14,15)7-3-5-16-9(17-7)19-10-18-8(21)6-2-1-4-11(6,22)20-10/h3,5-6,22H,1-2,4H2,(H2,16,17,18,19,20,21)
InChIKey AVKDIHRADACAJD-UHFFFAOYSA-N
Mol Weight 364.62 g/mol
Molecular Formula C12H12Cl3N5O2
Exact Mass 363.005658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID o85hgR2fk6
Name 2-[[4-(TRICHLOROMETHYL)-PYRIMIDIN-2-YL]-AMINO]-3,4A,5,6,7,8A-HEXAHYDRO-4H-PYRANO-[2,3-D]-PYRIMIDIN-4-ONE
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12Cl3N5O2
InChI InChI=1S/C12H12Cl3N5O2/c13-12(14,15)7-3-5-16-9(17-7)19-10-18-8(21)6-2-1-4-11(6,22)20-10/h3,5-6,22H,1-2,4H2,(H2,16,17,18,19,20,21)
InChIKey AVKDIHRADACAJD-UHFFFAOYSA-N
Literature Reference Author N.ZANNATTA,E.C.S.LOPES,L.FANTINEL,H.G.BONACORSO,M.A.P.MARTIN S
Literature Reference Citation J.HETCYCL.CHEM.,39,943(2002)
Literature Reference DOI 10.1002/jhet.5570390514
Molecular Weight 364.619 g/mol
Solvent DMSO-D6
Source File Reference UWSI19162