| SpectraBase Spectrum ID |
8yn8B0jZQkK |
| Name |
9-Butyl-1-methyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione |
| Alternate Name(s) |
9-Butyl-1-methyl-8-phenyl-3H-purine-2,6-dione
9-Butyl-1-methyl-8-phenyl-xanthine
9H-Purine-2,6(1H,3H)-dione, 9-butyl-1-methyl-8-phenyl- |
| CAS Registry Number |
61080-41-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18N4O2 |
| InChI |
InChI=1S/C16H18N4O2/c1-3-4-10-20-13(11-8-6-5-7-9-11)17-12-14(20)18-16(22)19(2)15(12)21/h5-9H,3-4,10H2,1-2H3,(H,18,22) |
| InChIKey |
RNZWTILXZREAFD-UHFFFAOYSA-N |
| Molecular Weight |
298.346 g/mol |
| SMILES |
N1C(N(C(c2c1[n](c(n2)-c1ccccc1)CCCC)=O)C)=O |
| SPLASH |
splash10-0f6t-8960000000-a7e0f9366a2abbb45781 |
| Source of Spectrum |
AD-0-2532-0 |
| Wiley ID |
1430476 |
