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1-(2-furfuryl)-6-homoveratryl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

View entire compound with spectra: 1 MS (GC)

1-(2-furfuryl)-6-homoveratryl-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
SpectraBase Compound ID 8tcz8Wl0XZG
InChI InChI=1S/C21H24N4O4S/c1-27-17-6-5-14(10-18(17)28-2)7-8-24-12-16-19(22-13-24)25(21(30)23-20(16)26)11-15-4-3-9-29-15/h3-6,9-10,22H,7-8,11-13H2,1-2H3,(H,23,26,30)
InChIKey WQMAXPVQDRFPLT-UHFFFAOYSA-N
Mol Weight 428.51 g/mol
Molecular Formula C21H24N4O4S
Exact Mass 428.151826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JRpVCNlzdTo
Name 1-(2-furfuryl)-6-homoveratryl-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 C21H24N4O4S
InChI InChI=1S/C21H24N4O4S/c1-27-17-6-5-14(10-18(17)28-2)7-8-24-12-16-19(22-13-24)25(21(30)23-20(16)26)11-15-4-3-9-29-15/h3-6,9-10,22H,7-8,11-13H2,1-2H3,(H,23,26,30)
InChIKey WQMAXPVQDRFPLT-UHFFFAOYSA-N
Molecular Weight 428.507 g/mol
SMILES N1C(N(C2=C(C1=O)CN(CN2)CCc1ccc(c(c1)OC)OC)Cc1occc1)=S
SPLASH splash10-0udi-4900000000-9f844a37a27f504f1ee0
Synonyms 6-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-furanylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one 6-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-furylmethyl)-2-thioxo-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one 6-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Wiley ID 1512550