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8-Phenyl-7-sulfanylidene-4,4-bis(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,5-dione
SpectraBase Compound ID BZ5y880meF4
InChI InChI=1S/C14H8F6N4O2S/c15-13(16,17)12(14(18,19)20)7-8(21-10(26)23-12)24(11(27)22-9(7)25)6-4-2-1-3-5-6/h1-5H,(H2,21,23,26)(H,22,25,27)
InChIKey QSUSNUODLVWIRW-UHFFFAOYSA-N
Mol Weight 410.29 g/mol
Molecular Formula C14H8F6N4O2S
Exact Mass 410.027216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQNBzGeVsuq
Name 8-Phenyl-7-sulfanylidene-4,4-bis(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,5-dione
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Formula C14H8F6N4O2S
InChI InChI=1S/C14H8F6N4O2S/c15-13(16,17)12(14(18,19)20)7-8(21-10(26)23-12)24(11(27)22-9(7)25)6-4-2-1-3-5-6/h1-5H,(H2,21,23,26)(H,22,25,27)
InChIKey QSUSNUODLVWIRW-UHFFFAOYSA-N
Molecular Weight 410.294 g/mol
SMILES N1C(N(C2=C(C(NC(N2)=O)(C(F)(F)F)C(F)(F)F)C1=O)c1ccccc1)=S
SPLASH splash10-01ox-9866100000-0fce0504cf1c68b77f07
Source of Spectrum IY-2-5081-6
Synonyms Pyrimido[4,5-d]pyrimidine-2,5(1H,3H)-dione, 4,6,7,8-tetrahydro-8-phenyl-7-thioxo-4,4-bis(trifluoromethyl)- 1-Phenyl-2-thioxo-5,5-bis(trifluoromethyl)-6,8-dihydropyrimido[4,5-d]pyrimidine-4,7-dione 1-Phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)-6,8-dihydropyrimido[4,5-d]pyrimidine-4,7-dione
Wiley ID 1658799