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8-[p-(dimethylamino)benzylidene]-4-[p-(dimethylamino)phenyl]-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione
SpectraBase Compound ID Hw5zzf6w2tt
InChI InChI=1S/C25H30N4S/c1-28(2)20-12-8-17(9-13-20)16-19-6-5-7-22-23(26-25(30)27-24(19)22)18-10-14-21(15-11-18)29(3)4/h8-16,23H,5-7H2,1-4H3,(H2,26,27,30)
InChIKey SWXXUNASLTXPIX-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H30N4S
Exact Mass 418.219118 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BDnYa11xMN0
Name 8-[p-(Dimethylamino)benzylidene]-4-[p-(dimethylamino)phenyl]-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.219118156 u
Formula C25H30N4S
InChI InChI=1S/C25H30N4S/c1-28(2)20-12-8-17(9-13-20)16-19-6-5-7-22-23(26-25(30)27-24(19)22)18-10-14-21(15-11-18)29(3)4/h8-16,23H,5-7H2,1-4H3,(H2,26,27,30)
InChIKey SWXXUNASLTXPIX-UHFFFAOYSA-N
Molecular Weight 418.603 g/mol
SMILES N1C=2C(CCCC2C(NC1=S)C=1C=CC(=CC1)N(C)C)=CC=1C=CC(=CC1)N(C)C