| SpectraBase Spectrum ID |
5cKh4kGQMh7 |
| Name |
Purinone, 1,2,3,7(or 1,3,6,7)-tetrahydro-1,3-dimethyl-2(or 6)-thioxo- |
| Alternate Name(s) |
1,3-Dimethyl-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one
Thiotheophylline
1,3-Dimethyl-2-sulfanylidene-7H-purin-6-one |
| CAS Registry Number |
56282-25-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H8N4OS |
| InChI |
InChI=1S/C7H8N4OS/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) |
| InChIKey |
UOZWMQWQAUEFEX-UHFFFAOYSA-N |
| Molecular Weight |
196.228 g/mol |
| SMILES |
[nH]1cnc2c1C(N(C(N2C)=S)C)=O |
| SPLASH |
splash10-00kn-3900000000-535294eb96979245a4f4 |
| Source of Spectrum |
DK-260-3965-0 |
| Wiley ID |
1192501 |
