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2-(1-METHYLETHYLTHIO)-5-[2-(4-(2-PYRIMIDYL)-PIPERAZIN-1-YL)-ETHYL]-AMINO-6,7,8,9-TETRAHYDRO-1,2,4-TRIAZOLO-[5,1-B]-QUINAZOLINE

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2-(1-METHYLETHYLTHIO)-5-[2-(4-(2-PYRIMIDYL)-PIPERAZIN-1-YL)-ETHYL]-AMINO-6,7,8,9-TETRAHYDRO-1,2,4-TRIAZOLO-[5,1-B]-QUINAZOLINE
SpectraBase Compound ID GNnalMaEyLo
InChI InChI=1S/C22H31N9S/c1-16(2)32-22-27-21-26-18-7-4-3-6-17(18)19(31(21)28-22)23-10-11-29-12-14-30(15-13-29)20-24-8-5-9-25-20/h5,8-9,16,23H,3-4,6-7,10-15H2,1-2H3
InChIKey HSJWJQWUPWLPAI-UHFFFAOYSA-N
Mol Weight 453.61 g/mol
Molecular Formula C22H31N9S
Exact Mass 453.242313 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ictn6Uo2hb
Name 2-(1-METHYLETHYLTHIO)-5-[2-(4-(2-PYRIMIDYL)-PIPERAZIN-1-YL)-ETHYL]-AMINO-6,7,8,9-TETRAHYDRO-1,2,4-TRIAZOLO-[5,1-B]-QUINAZOLINE
Compound Number 4/20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31N9S
InChI InChI=1S/C22H31N9S/c1-16(2)32-22-27-21-26-18-7-4-3-6-17(18)19(31(21)28-22)23-10-11-29-12-14-30(15-13-29)20-24-8-5-9-25-20/h5,8-9,16,23H,3-4,6-7,10-15H2,1-2H3
InChIKey HSJWJQWUPWLPAI-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 453.608 g/mol
Solvent CDCl3
Source File Reference UWSI8740