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9-Phenyl-1,3-dimethyl-2,4-dioxo-1,2,3,4,6,7-hexahydro[1,3,6]thiadiazepino[3,2-f]purine
SpectraBase Compound ID AGXkJp7zz10
InChI InChI=1S/C16H15N5O2S/c1-19-14-13(15(22)20(2)16(19)23)21-12(18-14)8-11(17-9-24-21)10-6-4-3-5-7-10/h3-8,17H,9H2,1-2H3
InChIKey CMAZJISAXHJRFJ-UHFFFAOYSA-N
Mol Weight 341.39 g/mol
Molecular Formula C16H15N5O2S
Exact Mass 341.094646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ATtA2uh4xv
Name 9-Phenyl-1,3-dimethyl-2,4-dioxo-1,2,3,4,6,7-hexahydro[1,3,6]thiadiazepino[3,2-f]purine
Alternate Name(s) 1,3-Dimethyl-9-phenyl-7,8-dihydro[1,2,6]thiadiazepino[3,2-f]purine-2,4(1H,3H)-dione
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Formula C16H15N5O2S
InChI InChI=1S/C16H15N5O2S/c1-19-14-13(15(22)20(2)16(19)23)21-12(18-14)8-11(17-9-24-21)10-6-4-3-5-7-10/h3-8,17H,9H2,1-2H3
InChIKey CMAZJISAXHJRFJ-UHFFFAOYSA-N
Molecular Weight 341.389 g/mol
SMILES N1CS[n]2c3c(nc2C=C1c1ccccc1)N(C(N(C3=O)C)=O)C
SPLASH splash10-0a4i-0910000000-14d6f1aa671aac866d46
Source of Spectrum AH-125-1277-7
Wiley ID 1335790