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2-Amino-4-(4-bromophenyl)-(5H)-[1]benzothiopyrano[4,3-b]pyrimidine-3-carbonitrile
SpectraBase Compound ID Kr2WmNFieSU
InChI InChI=1S/C19H12BrN3S/c20-12-7-5-11(6-8-12)17-14(9-21)19(22)23-18-13-3-1-2-4-16(13)24-10-15(17)18/h1-8H,10H2,(H2,22,23)
InChIKey FGOZPTYFVGCLDW-UHFFFAOYSA-N
Mol Weight 394.29 g/mol
Molecular Formula C19H12BrN3S
Exact Mass 392.993532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GNSUTTNQba
Name 2-Amino-4-(4-bromophenyl)-(5H)-[1]benzothiopyrano[4,3-b]pyrimidine-3-carbonitrile
Alternate Name(s) 2-azanyl-4-(4-bromophenyl)-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H12BrN3S
InChI InChI=1S/C19H12BrN3S/c20-12-7-5-11(6-8-12)17-14(9-21)19(22)23-18-13-3-1-2-4-16(13)24-10-15(17)18/h1-8H,10H2,(H2,22,23)
InChIKey FGOZPTYFVGCLDW-UHFFFAOYSA-N
Molecular Weight 394.290 g/mol
SMILES Nc1c(C#N)c(c2c(n1)-c1c(SC2)cccc1)-c1ccc(cc1)Br
SPLASH splash10-0002-0009000000-5280e7988fd3bde2aae6
Source of Spectrum Y1-42-1987-14
Wiley ID 1565316