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2,7-Di(4-methylthiophenyloxy)-3,6-di(phenyl)thieno[2,3-d:5,4-d']dipyrimidine-4,5(3H,6H)-dione

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2,7-Di(4-methylthiophenyloxy)-3,6-di(phenyl)thieno[2,3-d:5,4-d']dipyrimidine-4,5(3H,6H)-dione
SpectraBase Compound ID cVcQJo6aiI
InChI InChI=1S/C34H24N4O4S3/c1-43-25-17-13-23(14-18-25)41-33-35-29-27(31(39)37(33)21-9-5-3-6-10-21)28-30(45-29)36-34(42-24-15-19-26(44-2)20-16-24)38(32(28)40)22-11-7-4-8-12-22/h3-20H,1-2H3
InChIKey PUBCKASVEIOHFV-UHFFFAOYSA-N
Mol Weight 648.8 g/mol
Molecular Formula C34H24N4O4S3
Exact Mass 648.095969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gh0aEN37FCu
Name 2,7-Di(4-methylthiophenyloxy)-3,6-di(phenyl)thieno[2,3-d:5,4-d']dipyrimidine-4,5(3H,6H)-dione
Alternate Name(s) 2,7-bis[4-(methylsulfanyl)phenoxy]-3,6-diphenyl-3,6-dihydropyrimido[5',4':4,5]thieno[2,3-d]pyrimidine-4,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H24N4O4S3
InChI InChI=1S/C34H24N4O4S3/c1-43-25-17-13-23(14-18-25)41-33-35-29-27(31(39)37(33)21-9-5-3-6-10-21)28-30(45-29)36-34(42-24-15-19-26(44-2)20-16-24)38(32(28)40)22-11-7-4-8-12-22/h3-20H,1-2H3
InChIKey PUBCKASVEIOHFV-UHFFFAOYSA-N
Molecular Weight 648.770 g/mol
SMILES c12c3c(N=C(N(C3=O)c3ccccc3)Oc3ccc(cc3)SC)sc1N=C(N(C2=O)c1ccccc1)Oc1ccc(cc1)SC
SPLASH splash10-056s-9400076000-c2c6223b4b7849d6e4d0
Source of Spectrum F-69-8369-6
Wiley ID 1595885