For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

6-METHYLENECARBOXYMETHYL-2-METHYLTHIOPTERIDINE-4,7(3H,8H)-DIONE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

6-METHYLENECARBOXYMETHYL-2-METHYLTHIOPTERIDINE-4,7(3H,8H)-DIONE
SpectraBase Compound ID Bx492sMYq8M
InChI InChI=1S/C10H10N4O4S/c1-18-5(15)3-4-8(16)12-7-6(11-4)9(17)14-10(13-7)19-2/h3H2,1-2H3,(H2,12,13,14,16,17)
InChIKey BEZNSLSWSJBGLL-UHFFFAOYSA-N
Mol Weight 282.27 g/mol
Molecular Formula C10H10N4O4S
Exact Mass 282.042276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID L9Ht1ojNECe
Name 2-[2-(methylthio)-4,7-dioxo-1,8-dihydropteridin-6-yl]acetic acid methyl ester
Alternate Name(s) 2-[4,7-diketo-2-(methylthio)-1,8-dihydropteridin-6-yl]acetic acid methyl ester Methyl 2-(2-methylsulfanyl-4,7-dioxo-1,8-dihydropteridin-6-yl)acetate Methyl 2-[2-methylsulfanyl-4,7-bis(oxidanylidene)-1,8-dihydropteridin-6-yl]ethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10N4O4S
InChI InChI=1S/C10H10N4O4S/c1-18-5(15)3-4-8(16)12-7-6(11-4)9(17)14-10(13-7)19-2/h3H2,1-2H3,(H2,12,13,14,16,17)
InChIKey BEZNSLSWSJBGLL-UHFFFAOYSA-N
Molecular Weight 282.274 g/mol
SMILES N1C(C(=NC2=C1N=C(NC2=O)SC)CC(=O)OC)=O
SPLASH splash10-0ppi-3090000000-436a17773a10f373b270
Source of Spectrum Y-36-437-3
Wiley ID 762181