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2-(Diethylamino)-3-(4-chlorophenyl)-6-phenyl-7-(1-piperidinyl)thieno[2,3-d:5,4-d']dipyrimidine-4,5(3H,6H)-dione
SpectraBase Compound ID 8dlZdHjvmvD
InChI InChI=1S/C29H29ClN6O2S/c1-3-33(4-2)28-31-24-22(27(38)36(28)21-15-13-19(30)14-16-21)23-25(39-24)32-29(34-17-9-6-10-18-34)35(26(23)37)20-11-7-5-8-12-20/h5,7-8,11-16H,3-4,6,9-10,17-18H2,1-2H3
InChIKey HZEXUGYKUFMMBX-UHFFFAOYSA-N
Mol Weight 561.1 g/mol
Molecular Formula C29H29ClN6O2S
Exact Mass 560.176123 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnlmHytry0M
Name 2-(Diethylamino)-3-(4-chlorophenyl)-6-phenyl-7-(1-piperidinyl)thieno[2,3-d:5,4-d']dipyrimidine-4,5(3H,6H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H29ClN6O2S
InChI InChI=1S/C29H29ClN6O2S/c1-3-33(4-2)28-31-24-22(27(38)36(28)21-15-13-19(30)14-16-21)23-25(39-24)32-29(34-17-9-6-10-18-34)35(26(23)37)20-11-7-5-8-12-20/h5,7-8,11-16H,3-4,6,9-10,17-18H2,1-2H3
InChIKey HZEXUGYKUFMMBX-UHFFFAOYSA-N
Molecular Weight 561.104 g/mol
SMILES c12c3c(N=C(N(C3=O)c3ccccc3)N3CCCCC3)sc2N=C(N(C1=O)c1ccc(cc1)Cl)N(CC)CC
SPLASH splash10-03di-0001090000-0bdcd0d3a4d23d666f2c
Source of Spectrum F-69-8370-12
Synonyms 3-(4-Chlorophenyl)-2-(diethylamino)-6-phenyl-7-(1-piperidinyl)-3,6-dihydropyrimido[5',4':4,5]thieno[2,3-d]pyrimidine-4,5-dione
Wiley ID 1595878