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5-(4-Methoxyphenyl)-1,3-dimethyl-6-phenyl-7-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID CFtv17CfZe
InChI InChI=1S/C21H20N4O3S/c1-23-18-16(19(26)24(2)21(23)27)17(13-9-11-15(28-3)12-10-13)25(20(29)22-18)14-7-5-4-6-8-14/h4-12,17H,1-3H3,(H,22,29)
InChIKey DAOYVRFOKHWDME-UHFFFAOYSA-N
Mol Weight 408.48 g/mol
Molecular Formula C21H20N4O3S
Exact Mass 408.125612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B18MalrrfdY
Name 5-(4-Methoxyphenyl)-1,3-dimethyl-6-phenyl-7-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N4O3S
InChI InChI=1S/C21H20N4O3S/c1-23-18-16(19(26)24(2)21(23)27)17(13-9-11-15(28-3)12-10-13)25(20(29)22-18)14-7-5-4-6-8-14/h4-12,17H,1-3H3,(H,22,29)
InChIKey DAOYVRFOKHWDME-UHFFFAOYSA-N
Literature Reference DOI 10.1002/aoc.4003
Molecular Weight 408.476 g/mol
SMILES N1C2=C(C(N(C1=S)c1ccccc1)c1ccc(OC)cc1)C(N(C(N2C)=O)C)=O
SPLASH splash10-05fr-5890000000-0a7f6382664dec699405
Source of Spectrum AOC-32-SM30-C15
Wiley ID 1812397