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2-(1-METHYLETHYLTHIO)-5-[2-(4-BENZYLPIPERAZIN-1-YL)-ETHYL]-AMINO-6,7,8,9-TETRAHYDRO-1,2,4-TRIAZOLO-[5,1-B]-QUINAZOLINE
SpectraBase Compound ID IVIJnI51Vyg
InChI InChI=1S/C25H35N7S/c1-19(2)33-25-28-24-27-22-11-7-6-10-21(22)23(32(24)29-25)26-12-13-30-14-16-31(17-15-30)18-20-8-4-3-5-9-20/h3-5,8-9,19,26H,6-7,10-18H2,1-2H3
InChIKey FRJLBIGVEHLTEJ-UHFFFAOYSA-N
Mol Weight 465.7 g/mol
Molecular Formula C25H35N7S
Exact Mass 465.267465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2OfThRQa61n
Name 2-(1-METHYLETHYLTHIO)-5-[2-(4-BENZYLPIPERAZIN-1-YL)-ETHYL]-AMINO-6,7,8,9-TETRAHYDRO-1,2,4-TRIAZOLO-[5,1-B]-QUINAZOLINE
Compound Number 4/16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H35N7S
InChI InChI=1S/C25H35N7S/c1-19(2)33-25-28-24-27-22-11-7-6-10-21(22)23(32(24)29-25)26-12-13-30-14-16-31(17-15-30)18-20-8-4-3-5-9-20/h3-5,8-9,19,26H,6-7,10-18H2,1-2H3
InChIKey FRJLBIGVEHLTEJ-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 465.660 g/mol
Solvent CDCl3
Source File Reference UWSI8736