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3-Amino-4-imino-8-methoxy-2-(4'-nitrophenyl)pyrazolo[3',4':4,5]pyrimido-[2,1-b][1,3]benzothiazole
SpectraBase Compound ID 8kA6pVcL8ED
InChI InChI=1S/C18H13N7O3S/c1-28-11-6-7-12-13(8-11)29-18-21-17-14(15(19)23(12)18)16(20)24(22-17)9-2-4-10(5-3-9)25(26)27/h2-8,19H,20H2,1H3
InChIKey FNBPPBXTIAACTE-UHFFFAOYSA-N
Mol Weight 407.41 g/mol
Molecular Formula C18H13N7O3S
Exact Mass 407.080058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9oVxZPMazVU
Name 3-Amino-4-imino-8-methoxy-2-(4'-nitrophenyl)pyrazolo[3',4':4,5]pyrimido-[2,1-b][1,3]benzothiazole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N7O3S
InChI InChI=1S/C18H13N7O3S/c1-28-11-6-7-12-13(8-11)29-18-21-17-14(15(19)23(12)18)16(20)24(22-17)9-2-4-10(5-3-9)25(26)27/h2-8,19H,20H2,1H3
InChIKey FNBPPBXTIAACTE-UHFFFAOYSA-N
Molecular Weight 407.408 g/mol
SMILES N=C1c2c([n](nc2N=C2N1c1c(S2)cc(cc1)OC)-c1ccc(N(=O)=O)cc1)N
SPLASH splash10-0a4i-0000900000-187e454e4142d3c61dc4
Source of Spectrum Y-48-854-8c
Wiley ID 1667974