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1-Allyl-6-phenethyl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
SpectraBase Compound ID 7NhsNlmoWlm
InChI InChI=1S/C17H20N4OS/c1-2-9-21-15-14(16(22)19-17(21)23)11-20(12-18-15)10-8-13-6-4-3-5-7-13/h2-7,18H,1,8-12H2,(H,19,22,23)
InChIKey DOBBKMKPGIQFTD-UHFFFAOYSA-N
Mol Weight 328.43 g/mol
Molecular Formula C17H20N4OS
Exact Mass 328.135782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EF3VLfE03I0
Name 1-Allyl-6-phenethyl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N4OS
InChI InChI=1S/C17H20N4OS/c1-2-9-21-15-14(16(22)19-17(21)23)11-20(12-18-15)10-8-13-6-4-3-5-7-13/h2-7,18H,1,8-12H2,(H,19,22,23)
InChIKey DOBBKMKPGIQFTD-UHFFFAOYSA-N
Molecular Weight 328.434 g/mol
SMILES N1C(N(C2=C(C1=O)CN(CN2)CCc1ccccc1)CC=C)=S
SPLASH splash10-0006-9530000000-e31da86ddea8d48fe6c2
Synonyms 6-Phenethyl-1-prop-2-enyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Pyrimido[4,5-d]pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-6-(2-phenylethyl)-1-(2-propenyl)-2-thioxo- 1-Allyl-6-(2-phenylethyl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Wiley ID 1449613