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4-Amino-2-[4-(methylsulfanyl)phenyl]-5H-chromeno[4,3-d]pyrimidin-5-one
SpectraBase Compound ID 3G92UlH9i3
InChI InChI=1S/C18H13N3O2S/c1-24-11-8-6-10(7-9-11)17-20-15-12-4-2-3-5-13(12)23-18(22)14(15)16(19)21-17/h2-9H,1H3,(H2,19,20,21)
InChIKey WXNKYAHDSNVAMA-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 G5AS4BNf0bK
Name 4-Amino-2-[4-(methylsulfanyl)phenyl]-5H-chromeno[4,3-d]pyrimidin-5-one
Alternate Name(s) 4-Amino-2-(4-methylsulfanylphenyl)chromeno[4,3-d]pyrimidin-5-one 4-Amino-2-[4-(methylthio)phenyl]-5-[1]benzopyrano[4,3-d]pyrimidinone 4-Amino-2-[4-(methylthio)phenyl]chromeno[4,3-d]pyrimidin-5-one 4-Azanyl-2-(4-methylsulfanylphenyl)chromeno[4,3-d]pyrimidin-5-one 5H-Chromeno[4,3-d]pyrimidin-5-one, 4-amino-2-(4-methylthiophenyl)-
CAS Registry Number 309742-47-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N3O2S
InChI InChI=1S/C18H13N3O2S/c1-24-11-8-6-10(7-9-11)17-20-15-12-4-2-3-5-13(12)23-18(22)14(15)16(19)21-17/h2-9H,1H3,(H2,19,20,21)
InChIKey WXNKYAHDSNVAMA-UHFFFAOYSA-N
Molecular Weight 335.381 g/mol
SMILES Nc1nc(nc-2c1C(Oc1ccccc21)=O)-c1ccc(cc1)SC
SPLASH splash10-000i-3309000000-a9c749e53e920c6f63e7
Source of Spectrum AD-0-2532-0
Wiley ID 1429232