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2-Amino-8-cyano-7ethoxy-9-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine
SpectraBase Compound ID LVXh7YGt4Wj
InChI InChI=1S/C18H13N5OS/c1-2-24-16-11(8-19)13(10-6-4-3-5-7-10)14-15-12(25-17(14)23-16)9-21-18(20)22-15/h3-7,9H,2H2,1H3,(H2,20,21,22)
InChIKey IRLIUWQGRHTHBR-UHFFFAOYSA-N
Mol Weight 347.4 g/mol
Molecular Formula C18H13N5OS
Exact Mass 347.084081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XvuKzAfFeK
Name 2-Amino-8-cyano-7ethoxy-9-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Alternate Name(s) 2-amino-7-ethoxy-9-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-carbonitrile 2-amino-7-ethoxy-9-phenyl-8-pyrido[4,5]thieno[1,2-d]pyrimidinecarbonitrile 2-amino-7-ethoxy-9-phenylpyrido[4,5]thieno[1,2-d]pyrimidine-8-carbonitrile 2-azanyl-7-ethoxy-9-phenyl-pyrido[4,5]thieno[1,2-d]pyrimidine-8-carbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N5OS
InChI InChI=1S/C18H13N5OS/c1-2-24-16-11(8-19)13(10-6-4-3-5-7-10)14-15-12(25-17(14)23-16)9-21-18(20)22-15/h3-7,9H,2H2,1H3,(H2,20,21,22)
InChIKey IRLIUWQGRHTHBR-UHFFFAOYSA-N
Molecular Weight 347.396 g/mol
SMILES Nc1nc2c3c(nc(c(c3-c3ccccc3)C#N)OCC)sc2cn1
SPLASH splash10-00kb-0009000000-4f806460e8227cbbf184
Source of Spectrum H1-43-99-6
Wiley ID 757662