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1,3-Dimethyl-5-(4-nitrophenyl)-6-phenyl-7-thioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID BJxQF1SlVLG
InChI InChI=1S/C20H17N5O4S/c1-22-17-15(18(26)23(2)20(22)27)16(12-8-10-14(11-9-12)25(28)29)24(19(30)21-17)13-6-4-3-5-7-13/h3-11,16H,1-2H3,(H,21,30)
InChIKey BHLOBRFZNWNSHW-UHFFFAOYSA-N
Mol Weight 423.45 g/mol
Molecular Formula C20H17N5O4S
Exact Mass 423.100125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GFGJdakho47
Name 1,3-Dimethyl-5-(4-nitrophenyl)-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 C20H17N5O4S
InChI InChI=1S/C20H17N5O4S/c1-22-17-15(18(26)23(2)20(22)27)16(12-8-10-14(11-9-12)25(28)29)24(19(30)21-17)13-6-4-3-5-7-13/h3-11,16H,1-2H3,(H,21,30)
InChIKey BHLOBRFZNWNSHW-UHFFFAOYSA-N
Molecular Weight 423.447 g/mol
SMILES N1C2=C(C(N(C1=S)c1ccccc1)c1ccc(cc1)[N+](=O)[O-])C(N(C(N2C)=O)C)=O
SPLASH splash10-0abi-0095100000-633a05a12e926d2a87d1
Source of Spectrum AOC-32-SM16-C8
Wiley ID 1812405