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2,3,6,7-TETRAHYDRO-4-(4-METHOXYPHENYL)-8-METHYLTHIO-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
SpectraBase Compound ID 5foeQ4Xnroh
InChI InChI=1S/C21H20N4O2S/c1-27-15-10-8-14(9-11-15)16-12-17(13-6-4-3-5-7-13)23-19-18(22-16)20(26)25-21(24-19)28-2/h3-11,17H,12H2,1-2H3,(H2,23,24,25,26)
InChIKey INZLDVKUKZXJNL-UHFFFAOYSA-N
Mol Weight 392.48 g/mol
Molecular Formula C21H20N4O2S
Exact Mass 392.130697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Tf4kQ7voON
Name 2,3,6,7-Tetrahydro-8-methylthio-4-(4'-methoxyphenyl)-2-phenyl-1H-pyrimodo[4,5-b]-[1,4]-diazepin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N4O2S
InChI InChI=1S/C21H20N4O2S/c1-27-15-10-8-14(9-11-15)16-12-17(13-6-4-3-5-7-13)23-19-18(22-16)20(26)25-21(24-19)28-2/h3-11,17H,12H2,1-2H3,(H2,23,24,25,26)
InChIKey INZLDVKUKZXJNL-UHFFFAOYSA-N
Molecular Weight 392.477 g/mol
SMILES N1C(=NC2=C(N=C(CC(N2)c2ccccc2)c2ccc(cc2)OC)C1=O)SC
SPLASH splash10-000l-0549000000-6c301e4143044550d08c
Source of Spectrum Y-31-64-3
Synonyms 6-(4-Methoxyphenyl)-2-methylsulfanyl-8-phenyl-1,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one
Wiley ID 761447