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2,7-Di(di-n-pentylamino)-3,6-diphenylthieno[2,3-d:5,4-d']dipyrimidine-4,5(3H,6H)-dione
SpectraBase Compound ID FEd5lgmf757
InChI InChI=1S/C40H54N6O2S/c1-5-9-19-27-43(28-20-10-6-2)39-41-35-33(37(47)45(39)31-23-15-13-16-24-31)34-36(49-35)42-40(44(29-21-11-7-3)30-22-12-8-4)46(38(34)48)32-25-17-14-18-26-32/h13-18,23-26H,5-12,19-22,27-30H2,1-4H3
InChIKey ROQGHHQSAMQQEA-UHFFFAOYSA-N
Mol Weight 683.0 g/mol
Molecular Formula C40H54N6O2S
Exact Mass 682.402896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmYH5gx3Oef
Name 2,7-Di(di-n-pentylamino)-3,6-diphenylthieno[2,3-d:5,4-d']dipyrimidine-4,5(3H,6H)-dione
Alternate Name(s) 2,7-bis(dipentylamino)-3,6-diphenyl-3,6-dihydropyrimido[5',4':4,5]thieno[2,3-d]pyrimidine-4,5-dione
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Formula C40H54N6O2S
InChI InChI=1S/C40H54N6O2S/c1-5-9-19-27-43(28-20-10-6-2)39-41-35-33(37(47)45(39)31-23-15-13-16-24-31)34-36(49-35)42-40(44(29-21-11-7-3)30-22-12-8-4)46(38(34)48)32-25-17-14-18-26-32/h13-18,23-26H,5-12,19-22,27-30H2,1-4H3
InChIKey ROQGHHQSAMQQEA-UHFFFAOYSA-N
Molecular Weight 682.972 g/mol
SMILES c12c3c(N=C(N(C3=O)c3ccccc3)N(CCCCC)CCCCC)sc1N=C(N(C2=O)c1ccccc1)N(CCCCC)CCCCC
SPLASH splash10-00lu-7410209000-b963d9da0bf9d24c8683
Source of Spectrum F-69-8369-6
Wiley ID 1595892