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N,9-DIMETHYL-3-(PHENYLSULFONYL)-5,6,7,8-TETRAHYDROPYRAZOLO-[5.1-B]-QUINAZOLIN-2-AMINE
SpectraBase Compound ID E1FOHz8IDxk
InChI InChI=1S/C18H20N4O2S/c1-12-14-10-6-7-11-15(14)20-18-16(17(19-2)21-22(12)18)25(23,24)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,19,21)
InChIKey IFUHTYLFPBCCAD-UHFFFAOYSA-N
Mol Weight 356.44 g/mol
Molecular Formula C18H20N4O2S
Exact Mass 356.130697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMT3pjjQvpH
Name N,9-DIMETHYL-3-(PHENYLSULFONYL)-5,6,7,8-TETRAHYDROPYRAZOLO-[5.1-B]-QUINAZOLIN-2-AMINE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20N4O2S
InChI InChI=1S/C18H20N4O2S/c1-12-14-10-6-7-11-15(14)20-18-16(17(19-2)21-22(12)18)25(23,24)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,19,21)
InChIKey IFUHTYLFPBCCAD-UHFFFAOYSA-N
Literature Reference Author A.V.IVACHTCHENKO,D.E.DMITRIEV,E.S.GOLOVINA,M.G.KADIEVA,A.G.K ORYAKOVA,V.M.KYSIL,O
Literature Reference Citation J.MED.CHEM.,53,5186(2010)
Literature Reference DOI 10.1021/jm100350r
Molecular Weight 356.442 g/mol
Solvent DMSO-D6
Source File Reference UWMZ47379