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1,3-Dimethyl-6-phenyl-7-thioxo-5-(p-tolyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID 6VDHJGhRHFY
InChI InChI=1S/C21H20N4O2S/c1-13-9-11-14(12-10-13)17-16-18(23(2)21(27)24(3)19(16)26)22-20(28)25(17)15-7-5-4-6-8-15/h4-12,17H,1-3H3,(H,22,28)
InChIKey BLPZVYIQNUTJOG-UHFFFAOYSA-N
Mol Weight 392.48 g/mol
Molecular Formula C21H20N4O2S
Exact Mass 392.130697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aybh44Yr7u4
Name 1,3-Dimethyl-6-phenyl-7-thioxo-5-(p-tolyl)-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 C21H20N4O2S
InChI InChI=1S/C21H20N4O2S/c1-13-9-11-14(12-10-13)17-16-18(23(2)21(27)24(3)19(16)26)22-20(28)25(17)15-7-5-4-6-8-15/h4-12,17H,1-3H3,(H,22,28)
InChIKey BLPZVYIQNUTJOG-UHFFFAOYSA-N
Molecular Weight 392.477 g/mol
SMILES N1C2=C(C(N(C1=S)c1ccccc1)c1ccc(cc1)C)C(N(C(N2C)=O)C)=O
SPLASH splash10-0a4i-0191000000-8a61b2455c2199dfecc7
Source of Spectrum AOC-32-SM26-C13
Wiley ID 1812395