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2-Amino-4-(4-methoxyphenyl)-5,8-dioxo-8,9-dihydro-5H-pyrido[3,2-e]thiazolo[3,2-a]pyrimidine-3-carbonitrile
SpectraBase Compound ID 3C5Hge1ASGD
InChI InChI=1S/C17H11N5O3S/c1-25-9-4-2-8(3-5-9)12-10(6-18)14(19)20-15-13(12)16(24)21-17-22(15)7-11(23)26-17/h2-5H,7H2,1H3,(H2,19,20)
InChIKey JPEQPHJEJMFSBH-UHFFFAOYSA-N
Mol Weight 365.37 g/mol
Molecular Formula C17H11N5O3S
Exact Mass 365.05826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jiOMt3XNa8
Name 2-Amino-4-(4-methoxyphenyl)-5,8-dioxo-8,9-dihydro-5H-pyrido[3,2-e]thiazolo[3,2-a]pyrimidine-3-carbonitrile
Appearance Deep yellow
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11N5O3S
InChI InChI=1S/C17H11N5O3S/c1-25-9-4-2-8(3-5-9)12-10(6-18)14(19)20-15-13(12)16(24)21-17-22(15)7-11(23)26-17/h2-5H,7H2,1H3,(H2,19,20)
InChIKey JPEQPHJEJMFSBH-UHFFFAOYSA-N
Instrument Name Schimadzu-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4109
Molecular Weight 365.367 g/mol
SMILES Nc1nc2c(C(N=C3N2CC(S3)=O)=O)c(c1C#N)-c1ccc(cc1)OC
SPLASH splash10-014i-0090000000-41f17b085188d5f248a1
Source of Spectrum Y-57-4006-22
Wiley ID 1859899