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3-(4-chlorophenethyl)-4,5-dimethyl-4-hydroxy-7-ethylamino-3,4-dihydropyrido[4,3-d]pyrimidine-8-nitrile
SpectraBase Compound ID I9q4rGthQaV
InChI InChI=1S/C20H22ClN5O/c1-4-23-19-16(11-22)18-17(13(2)25-19)20(3,27)26(12-24-18)10-9-14-5-7-15(21)8-6-14/h5-8,12,27H,4,9-10H2,1-3H3,(H,23,25)
InChIKey LNCACUKUFCPPMH-UHFFFAOYSA-N
Mol Weight 383.88 g/mol
Molecular Formula C20H22ClN5O
Exact Mass 383.151288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPtggHnyjEA
Name 3-(4-chlorophenethyl)-4,5-dimethyl-4-hydroxy-7-ethylamino-3,4-dihydropyrido[4,3-d]pyrimidine-8-nitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22ClN5O
InChI InChI=1S/C20H22ClN5O/c1-4-23-19-16(11-22)18-17(13(2)25-19)20(3,27)26(12-24-18)10-9-14-5-7-15(21)8-6-14/h5-8,12,27H,4,9-10H2,1-3H3,(H,23,25)
InChIKey LNCACUKUFCPPMH-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 383.883 g/mol
SMILES N(c1nc(c2C(N(C=Nc2c1C#N)CCc1ccc(cc1)Cl)(O)C)C)CC
SPLASH splash10-000x-0293000000-a792ce4a173b91211a5b
Source of Spectrum CN101619063A
Wiley ID 1841452