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7-BENZYL-3-AMINO-2-(4-CHLOROPHENYL)-AMINO-5,6,7,8-TETRAHYDRO-3H-PYRIDO-[3',4':4,5]-THIENO-[2,3-D]-PYRIMIDIN-4-ONE
SpectraBase Compound ID 2LL2ckkLKtS
InChI InChI=1S/C22H20ClN5OS/c23-15-6-8-16(9-7-15)25-22-26-20-19(21(29)28(22)24)17-10-11-27(13-18(17)30-20)12-14-4-2-1-3-5-14/h1-9H,10-13,24H2,(H,25,26)
InChIKey XJRWQMJCVVPNTH-UHFFFAOYSA-N
Mol Weight 437.95 g/mol
Molecular Formula C22H20ClN5OS
Exact Mass 437.107709 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FTZf6YwYDYp
Name 7-BENZYL-3-AMINO-2-(4-CHLOROPHENYL)-AMINO-5,6,7,8-TETRAHYDRO-3H-PYRIDO-[3',4':4,5]-THIENO-[2,3-D]-PYRIMIDIN-4-ONE
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20ClN5OS
InChI InChI=1S/C22H20ClN5OS/c23-15-6-8-16(9-7-15)25-22-26-20-19(21(29)28(22)24)17-10-11-27(13-18(17)30-20)12-14-4-2-1-3-5-14/h1-9H,10-13,24H2,(H,25,26)
InChIKey XJRWQMJCVVPNTH-UHFFFAOYSA-N
Literature Reference Author K.M.AL-TAISAN,H.M.A.AL-HAZIMI,S.S.AL-SHIHRY
Literature Reference Citation MOLECULES,15,3932(2010)
Literature Reference DOI 10.3390/molecules15063932
Molecular Weight 437.947 g/mol
Sample ID 70972
Solvent CDCl3