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2-(1-METHYLETHYLTHIO)-5-[2-(4-(2-HYDROXYETHYL)-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-HYDROXYETHYL)-PIPERAZIN-1-YL)-ETHYL]-AMINO-6,7,8,9-TETRAHYDRO-1,2,4-TRIAZOLO-[5,1-B]-QUINAZOLINE
SpectraBase Compound ID DEoiNTfylpl
InChI InChI=1S/C20H33N7OS/c1-15(2)29-20-23-19-22-17-6-4-3-5-16(17)18(27(19)24-20)21-7-8-25-9-11-26(12-10-25)13-14-28/h15,21,28H,3-14H2,1-2H3
InChIKey HGOGGFCKSCBYCR-UHFFFAOYSA-N
Mol Weight 419.6 g/mol
Molecular Formula C20H33N7OS
Exact Mass 419.24673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3bCklV6wBDI
Name 2-(1-METHYLETHYLTHIO)-5-[2-(4-(2-HYDROXYETHYL)-PIPERAZIN-1-YL)-ETHYL]-AMINO-6,7,8,9-TETRAHYDRO-1,2,4-TRIAZOLO-[5,1-B]-QUINAZOLINE
Compound Number 4/17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H33N7OS
InChI InChI=1S/C20H33N7OS/c1-15(2)29-20-23-19-22-17-6-4-3-5-16(17)18(27(19)24-20)21-7-8-25-9-11-26(12-10-25)13-14-28/h15,21,28H,3-14H2,1-2H3
InChIKey HGOGGFCKSCBYCR-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 419.588 g/mol
Solvent CDCl3
Source File Reference UWSI8737