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3-(3'-Fluorobenzyl)-3,4-dihydro-4-imino-7-methyl-5-(methylthio)pyrimido[4,5-d]pyrimidine-2(1H)-thione
SpectraBase Compound ID JfAcgh1PmQ4
InChI InChI=1S/C15H14FN5S2/c1-8-18-13-11(14(19-8)23-2)12(17)21(15(22)20-13)7-9-4-3-5-10(16)6-9/h3-6,17H,7H2,1-2H3,(H,18,19,20,22)
InChIKey LSONKKLWJSIUSN-UHFFFAOYSA-N
Mol Weight 347.43 g/mol
Molecular Formula C15H14FN5S2
Exact Mass 347.067466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FylbDLjN3Uo
Name 3-(3'-Fluorobenzyl)-3,4-dihydro-4-imino-7-methyl-5-(methylthio)pyrimido[4,5-d]pyrimidine-2(1H)-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14FN5S2
InChI InChI=1S/C15H14FN5S2/c1-8-18-13-11(14(19-8)23-2)12(17)21(15(22)20-13)7-9-4-3-5-10(16)6-9/h3-6,17H,7H2,1-2H3,(H,18,19,20,22)
InChIKey LSONKKLWJSIUSN-UHFFFAOYSA-N
Molecular Weight 347.430 g/mol
SMILES N1c2nc(nc(c2C(N(C1=S)Cc1cc(F)ccc1)=N)SC)C
SPLASH splash10-0002-0319000000-3ea8ac0c6cca7db60419
Source of Spectrum H-81-658-22
Synonyms 3-(3-fluorobenzyl)-4-imino-7-methyl-5-(methylsulfanyl)-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-thione
Wiley ID 1339889