| SpectraBase Compound ID | 1RkKr0F4O55 |
|---|---|
| InChI | InChI=1S/C11H13N5O2/c1-14-9-8(10(17)15(2)11(14)18)16(7-13-9)6-4-3-5-12/h7H,3-4,6H2,1-2H3 |
| InChIKey | DJAXYTCEYBZGKN-UHFFFAOYSA-N |
| Mol Weight | 247.26 g/mol |
| Molecular Formula | C11H13N5O2 |
| Exact Mass | 247.106925 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3w0Vg7WB1yA |
|---|---|
| Name | 4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanenitrile |
| CAS Registry Number | 88338-88-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H13N5O2 |
| InChI | InChI=1S/C11H13N5O2/c1-14-9-8(10(17)15(2)11(14)18)16(7-13-9)6-4-3-5-12/h7H,3-4,6H2,1-2H3 |
| InChIKey | DJAXYTCEYBZGKN-UHFFFAOYSA-N |
| Molecular Weight | 247.258 g/mol |
| SMILES | c12c(C(=O)N(C(N2C)=O)C)[n](CCCC#N)cn1 |
| SPLASH | splash10-05mp-9540000000-ad2a5f055488a875b96d |
| Synonyms | 1,3-Dimethyl-1,2,3,6-tetrahydro-2,6-dioxo-7H-purine-7-butanenitrile 4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-butyronitrile 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanenitrile 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanenitrile 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyronitrile 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanenitrile 7-Cyanopropyltheophylline 7H-purine-7-butanenitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- BRN 4262490 |
| Wiley ID | 1458472 |