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N-(4-bromophenyl)-2-{10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.0(2,7).0(11,15)]hexadeca-1(9),2,4,6,15-pentaen-8-yl}acetamide
SpectraBase Compound ID 8CB6uxoq9vV
InChI InChI=1S/C20H15BrN4O2S/c21-12-5-7-13(8-6-12)22-16(26)11-25-15-4-2-1-3-14(15)17-18(25)19(27)24-9-10-28-20(24)23-17/h1-8H,9-11H2,(H,22,26)
InChIKey ISMWHQIINIQWEF-UHFFFAOYSA-N
Mol Weight 455.33 g/mol
Molecular Formula C20H15BrN4O2S
Exact Mass 454.00991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16RVWMdyXfz
Name N-(4-bromophenyl)-2-{10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.0(2,7).0(11,15)]hexadeca-1(9),2,4,6,15-pentaen-8-yl}acetamide
Alternate Name(s) Thiazolo[3',2':1,2]pyrimido[5,4-b]indole-6-acetamide, N-(4-bromophenyl)-2,3,5,6-tetrahydro-5-oxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15BrN4O2S
InChI InChI=1S/C20H15BrN4O2S/c21-12-5-7-13(8-6-12)22-16(26)11-25-15-4-2-1-3-14(15)17-18(25)19(27)24-9-10-28-20(24)23-17/h1-8H,9-11H2,(H,22,26)
InChIKey ISMWHQIINIQWEF-UHFFFAOYSA-N
Molecular Weight 455.330 g/mol
SMILES N(C(C[n]1c2c(N=C3N(C2=O)CCS3)c2ccccc12)=O)c1ccc(Br)cc1
SPLASH splash10-0a4i-6790000000-fcdc4bf55f7733ecebec
Source of Spectrum IY-2-4984-2
Wiley ID 1657825