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

*Links on SpectraBase are not permalinks.
3-(6-oxo-8-sulfanyl-1,6-dihydro-9H-purin-9-yl)propanenitrile
SpectraBase Compound ID 9equjFXOk2Z
InChI InChI=1S/C8H7N5OS/c9-2-1-3-13-6-5(12-8(13)15)7(14)11-4-10-6/h4H,1,3H2,(H,12,15)(H,10,11,14)
InChIKey NNUYJCDGQNCMGO-UHFFFAOYSA-N
Mol Weight 221.24 g/mol
Molecular Formula C8H7N5OS
Exact Mass 221.037131 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 F2VWci94HRa
Name 3-(6-oxo-8-sulfanyl-1,6-dihydro-9H-purin-9-yl)propanenitrile
Alternate Name(s) 3-(6-keto-8-thioxo-3,7-dihydropurin-9-yl)propionitrile 3-(6-oxidanylidene-8-sulfanylidene-3,7-dihydropurin-9-yl)propanenitrile 3-(6-oxo-8-sulfanylidene-3,7-dihydropurin-9-yl)propanenitrile 3-(6-oxo-8-thioxo-3,7-dihydropurin-9-yl)propanenitrile 3-(8-Mercapto-6-oxo-1,6-dihydro-purin-9-yl)-propionitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7N5OS
InChI InChI=1S/C8H7N5OS/c9-2-1-3-13-6-5(12-8(13)15)7(14)11-4-10-6/h4H,1,3H2,(H,12,15)(H,10,11,14)
InChIKey NNUYJCDGQNCMGO-UHFFFAOYSA-N
Molecular Weight 221.238 g/mol
SMILES Sc1[n](c2c(C(NC=N2)=O)n1)CCC#N
SPLASH splash10-0g4i-9410000000-522233ef37e85cd9ed18
Wiley ID 1465636