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2-(4-CHLOROBENZYLTHIO)-5-[2-(MORPHOLIN-4-YL)-ETHYL]-AMINO-6,7,8,9-TETRAHYDRO-1,2,4-TRIAZOLO-[5,1-B]-QUINAZOLINE
SpectraBase Compound ID GYUiyFQuN6F
InChI InChI=1S/C22H27ClN6OS/c23-17-7-5-16(6-8-17)15-31-22-26-21-25-19-4-2-1-3-18(19)20(29(21)27-22)24-9-10-28-11-13-30-14-12-28/h5-8,24H,1-4,9-15H2
InChIKey JVYUOFWQZVKPEL-UHFFFAOYSA-N
Mol Weight 459.01 g/mol
Molecular Formula C22H27ClN6OS
Exact Mass 458.165558 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ev8vbgQi7L
Name 2-(4-CHLOROBENZYLTHIO)-5-[2-(MORPHOLIN-4-YL)-ETHYL]-AMINO-6,7,8,9-TETRAHYDRO-1,2,4-TRIAZOLO-[5,1-B]-QUINAZOLINE
Compound Number 4/25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27ClN6OS
InChI InChI=1S/C22H27ClN6OS/c23-17-7-5-16(6-8-17)15-31-22-26-21-25-19-4-2-1-3-18(19)20(29(21)27-22)24-9-10-28-11-13-30-14-12-28/h5-8,24H,1-4,9-15H2
InChIKey JVYUOFWQZVKPEL-UHFFFAOYSA-N
Literature Reference Author G.BERECZ,L.PARKANYI,A.KALMAN,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,39,703(2002)
Literature Reference DOI 10.1002/jhet.5570390415
Molecular Weight 459.009 g/mol
Solvent CDCl3
Source File Reference UWSI8745