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5-(4-bromophenyl)-1,3-dimethyl-6-phenyl-7-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID HRay4wjRnpG
InChI InChI=1S/C20H17BrN4O2S/c1-23-17-15(18(26)24(2)20(23)27)16(12-8-10-13(21)11-9-12)25(19(28)22-17)14-6-4-3-5-7-14/h3-11,16H,1-2H3,(H,22,28)
InChIKey DOCGOUDQWLVLHG-UHFFFAOYSA-N
Mol Weight 457.35 g/mol
Molecular Formula C20H17BrN4O2S
Exact Mass 456.02556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5s4XRAbqkeK
Name 5-(4-bromophenyl)-1,3-dimethyl-6-phenyl-7-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17BrN4O2S
InChI InChI=1S/C20H17BrN4O2S/c1-23-17-15(18(26)24(2)20(23)27)16(12-8-10-13(21)11-9-12)25(19(28)22-17)14-6-4-3-5-7-14/h3-11,16H,1-2H3,(H,22,28)
InChIKey DOCGOUDQWLVLHG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/aoc.4003
Molecular Weight 457.346 g/mol
SMILES N1C2=C(C(N(C1=S)c1ccccc1)c1ccc(Br)cc1)C(N(C(N2C)=O)C)=O
SPLASH splash10-00di-4978000000-9b501aebad097481cd9f
Source of Spectrum AOC-32-SM12-C6
Wiley ID 1812403