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5-(2-Acetyl-1,2,3,4-tetrahydro-1-isoquinolinyl)-3-[2-(1-cyclohexen-1-yl)ethyl]-6-hydroxy-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone

View entire compound with spectra: 1 MS (GC)

5-(2-Acetyl-1,2,3,4-tetrahydro-1-isoquinolinyl)-3-[2-(1-cyclohexen-1-yl)ethyl]-6-hydroxy-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
SpectraBase Compound ID 6Pw6b0hucER
InChI InChI=1S/C23H27N3O3S/c1-15(27)25-14-12-17-9-5-6-10-18(17)20(25)19-21(28)24-23(30)26(22(19)29)13-11-16-7-3-2-4-8-16/h5-7,9-10,20,28H,2-4,8,11-14H2,1H3,(H,24,30)
InChIKey SGMXIKZJGBKSFE-UHFFFAOYSA-N
Mol Weight 425.55 g/mol
Molecular Formula C23H27N3O3S
Exact Mass 425.177313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AaTnLne5itJ
Name 5-(2-Acetyl-1,2,3,4-tetrahydro-1-isoquinolinyl)-3-[2-(1-cyclohexen-1-yl)ethyl]-6-hydroxy-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27N3O3S
InChI InChI=1S/C23H27N3O3S/c1-15(27)25-14-12-17-9-5-6-10-18(17)20(25)19-21(28)24-23(30)26(22(19)29)13-11-16-7-3-2-4-8-16/h5-7,9-10,20,28H,2-4,8,11-14H2,1H3,(H,24,30)
InChIKey SGMXIKZJGBKSFE-UHFFFAOYSA-N
Molecular Weight 425.547 g/mol
SMILES N1C(=C(C(N(CCC2=CCCCC2)C1=S)=O)C1N(C(=O)C)CCc2c1cccc2)O
SPLASH splash10-000f-9510000000-a57c0e2b2e61b43ea255
Synonyms 5-(2-Acetyl-1,2,3,4-tetrahydro-isoquinolin-1-yl)-3-(2-cyclohex-1-enyl-ethyl)-6-hydroxy-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
Wiley ID 1445449