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2,7-Di(4-methylphenyloxy)-3,6-di(3-methylphenyl)thieno[2,3-d:5,4-d']dipyrimidine-4,5(3H,6H)-dione
SpectraBase Compound ID IjnBW47MB30
InChI InChI=1S/C36H28N4O4S/c1-21-11-15-27(16-12-21)43-35-37-31-29(33(41)39(35)25-9-5-7-23(3)19-25)30-32(45-31)38-36(44-28-17-13-22(2)14-18-28)40(34(30)42)26-10-6-8-24(4)20-26/h5-20H,1-4H3
InChIKey NTOGEXOBOOVNJG-UHFFFAOYSA-N
Mol Weight 612.7 g/mol
Molecular Formula C36H28N4O4S
Exact Mass 612.183127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AjQBZeTrc
Name 2,7-Di(4-methylphenyloxy)-3,6-di(3-methylphenyl)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 C36H28N4O4S
InChI InChI=1S/C36H28N4O4S/c1-21-11-15-27(16-12-21)43-35-37-31-29(33(41)39(35)25-9-5-7-23(3)19-25)30-32(45-31)38-36(44-28-17-13-22(2)14-18-28)40(34(30)42)26-10-6-8-24(4)20-26/h5-20H,1-4H3
InChIKey NTOGEXOBOOVNJG-UHFFFAOYSA-N
Molecular Weight 612.704 g/mol
SMILES c12c3c(N=C(N(C3=O)c3cc(C)ccc3)Oc3ccc(cc3)C)sc1N=C(N(C2=O)c1cc(C)ccc1)Oc1ccc(cc1)C
SPLASH splash10-01vo-9208045000-964f49be49c468c79a22
Source of Spectrum F-69-8370-6
Synonyms 2,7-bis(4-methylphenoxy)-3,6-bis(3-methylphenyl)-3,6-dihydropyrimido[5',4':4,5]thieno[2,3-d]pyrimidine-4,5-dione
Wiley ID 1595883