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5-[2-(N-BENZYLMETHYLAMINO)-ETHYL]-AMINO-2-(1-METHYLETHYLTHIO)-6,7,8,9-TETRAHYDRO-1,2,4-TRIAZOLO-[5,1-B]-QUINAZOLINE
SpectraBase Compound ID HSUVSGujjwD
InChI InChI=1S/C22H30N6S/c1-16(2)29-22-25-21-24-19-12-8-7-11-18(19)20(28(21)26-22)23-13-14-27(3)15-17-9-5-4-6-10-17/h4-6,9-10,16,23H,7-8,11-15H2,1-3H3
InChIKey DZQGSCVJLMTULA-UHFFFAOYSA-N
Mol Weight 410.58 g/mol
Molecular Formula C22H30N6S
Exact Mass 410.225266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BnKf35xMKy6
Name 5-[2-(N-BENZYLMETHYLAMINO)-ETHYL]-AMINO-2-(1-METHYLETHYLTHIO)-6,7,8,9-TETRAHYDRO-1,2,4-TRIAZOLO-[5,1-B]-QUINAZOLINE
Compound Number 4/7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30N6S
InChI InChI=1S/C22H30N6S/c1-16(2)29-22-25-21-24-19-12-8-7-11-18(19)20(28(21)26-22)23-13-14-27(3)15-17-9-5-4-6-10-17/h4-6,9-10,16,23H,7-8,11-15H2,1-3H3
InChIKey DZQGSCVJLMTULA-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 410.580 g/mol
Solvent CDCl3
Source File Reference UWSI8727