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2-(2-Hydroxyphenyl)-5-imino-4-methylthio-5H-[1]benzopyrano[4,3-d]pyrimidin
SpectraBase Compound ID HPG6BiRTbNR
InChI InChI=1S/C18H13N3O2S/c1-24-18-14-15(11-7-3-5-9-13(11)23-16(14)19)20-17(21-18)10-6-2-4-8-12(10)22/h2-9,19,22H,1H3
InChIKey KIPYKEBREZIIGZ-UHFFFAOYSA-N
Mol Weight 335.38 g/mol
Molecular Formula C18H13N3O2S
Exact Mass 335.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AA57IdGEipA
Name 2-(2-Hydroxyphenyl)-5-imino-4-methylthio-5H-[1]benzopyrano[4,3-d]pyrimidin
Alternate Name(s) 2-[5-imino-4-(methylsulfanyl)-5H-chromeno[4,3-d]pyrimidin-2-yl]phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N3O2S
InChI InChI=1S/C18H13N3O2S/c1-24-18-14-15(11-7-3-5-9-13(11)23-16(14)19)20-17(21-18)10-6-2-4-8-12(10)22/h2-9,19,22H,1H3
InChIKey KIPYKEBREZIIGZ-UHFFFAOYSA-N
Molecular Weight 335.381 g/mol
SMILES N=C1c2c(nc(-c3c(cccc3)O)nc2SC)-c2c(O1)cccc2
SPLASH splash10-00dr-0509000000-aee0c8595806c2f905d7
Source of Spectrum SO-0-149-17
Wiley ID 1538784