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1,3-Dimethyl-7-(4-nitrophenyl)thiazolo[2,3-f]purine-2,4(1H,3H)-dione

View entire compound with spectra: 1 MS (GC)

1,3-Dimethyl-7-(4-nitrophenyl)thiazolo[2,3-f]purine-2,4(1H,3H)-dione
SpectraBase Compound ID 21izipwIgQJ
InChI InChI=1S/C15H11N5O4S/c1-17-12-11(13(21)18(2)15(17)22)19-7-10(25-14(19)16-12)8-3-5-9(6-4-8)20(23)24/h3-7H,1-2H3
InChIKey DWLKDEHAIOJQMU-UHFFFAOYSA-N
Mol Weight 357.34 g/mol
Molecular Formula C15H11N5O4S
Exact Mass 357.053175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqJx8tC9fFZ
Name 1,3-Dimethyl-7-(4-nitrophenyl)thiazolo[2,3-f]purine-2,4(1H,3H)-dione
CAS Registry Number 79923-77-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11N5O4S
InChI InChI=1S/C15H11N5O4S/c1-17-12-11(13(21)18(2)15(17)22)19-7-10(25-14(19)16-12)8-3-5-9(6-4-8)20(23)24/h3-7H,1-2H3
InChIKey DWLKDEHAIOJQMU-UHFFFAOYSA-N
Molecular Weight 357.344 g/mol
SMILES c12c(nc3[n]2C=C(c2ccc(N(=O)=O)cc2)S3)N(C)C(N(C1=O)C)=O
SPLASH splash10-0kmi-5379000000-d20c968d1e1340a57711
Source of Spectrum HC-17-951-0
Synonyms 1,3-Dimethyl-7-(4-nitrophenyl)[1,3]thiazolo[2,3-f]purine-2,4(1H,3H)-dione 2,4-Dimethyl-7-(4-nitrophenyl)purino[8,7-b]thiazole-1,3-dione 2,4-Dimethyl-7-(4-nitrophenyl)purino[8,7-b]thiazole-1,3-quinone 2,4-Dimethyl-7-(4-nitrophenyl)purino[8,7-b][1,3]thiazole-1,3-dione
Wiley ID 1346328