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Pyrimido[4,5-d]pyrimidin-4(1H)-one, 1-(3-fluorophenyl)-2,3,5,6,7,8-hexahydro-6-propyl-2-thioxo-
SpectraBase Compound ID B6xtLikQNfJ
InChI InChI=1S/C15H17FN4OS/c1-2-6-19-8-12-13(17-9-19)20(15(22)18-14(12)21)11-5-3-4-10(16)7-11/h3-5,7,17H,2,6,8-9H2,1H3,(H,18,21,22)
InChIKey FQAXMYITAIAVPE-UHFFFAOYSA-N
Mol Weight 320.39 g/mol
Molecular Formula C15H17FN4OS
Exact Mass 320.110711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NEDjd2D84M
Name Pyrimido[4,5-d]pyrimidin-4(1H)-one, 1-(3-fluorophenyl)-2,3,5,6,7,8-hexahydro-6-propyl-2-thioxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17FN4OS
InChI InChI=1S/C15H17FN4OS/c1-2-6-19-8-12-13(17-9-19)20(15(22)18-14(12)21)11-5-3-4-10(16)7-11/h3-5,7,17H,2,6,8-9H2,1H3,(H,18,21,22)
InChIKey FQAXMYITAIAVPE-UHFFFAOYSA-N
Molecular Weight 320.386 g/mol
SMILES N1C(N(C2=C(C1=O)CN(CN2)CCC)c1cc(ccc1)F)=S
SPLASH splash10-0007-9421000000-9bc22e73ac4c771ee45b
Source of Spectrum IY-1-4672-4
Synonyms 1-(3-fluorophenyl)-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Wiley ID 1654707