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

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2-(4-NITROBENZYLTHIO)-5-[2-(MORPHOLIN-4-YL)-ETHYL]-AMINO-6,7,8,9-TETRAHYDRO-1,2,4-TRIAZOLO-[5,1-B]-QUINAZOLINE
SpectraBase Compound ID CE6c8K5eXeW
InChI InChI=1S/C22H27N7O3S/c30-29(31)17-7-5-16(6-8-17)15-33-22-25-21-24-19-4-2-1-3-18(19)20(28(21)26-22)23-9-10-27-11-13-32-14-12-27/h5-8,23H,1-4,9-15H2
InChIKey CCRKVILCHRIWLH-UHFFFAOYSA-N
Mol Weight 469.56 g/mol
Molecular Formula C22H27N7O3S
Exact Mass 469.189609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HIHOX8WJJoR
Name 2-(4-NITROBENZYLTHIO)-5-[2-(MORPHOLIN-4-YL)-ETHYL]-AMINO-6,7,8,9-TETRAHYDRO-1,2,4-TRIAZOLO-[5,1-B]-QUINAZOLINE
Compound Number 4/26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27N7O3S
InChI InChI=1S/C22H27N7O3S/c30-29(31)17-7-5-16(6-8-17)15-33-22-25-21-24-19-4-2-1-3-18(19)20(28(21)26-22)23-9-10-27-11-13-32-14-12-27/h5-8,23H,1-4,9-15H2
InChIKey CCRKVILCHRIWLH-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 469.561 g/mol
Solvent CDCl3
Source File Reference UWSI8746