Basic Information |
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| Product Name: | 1H-PURINE-1-ACETIC ACID, 2,3,6,7-TETRAHYDRO-3,7-DIMETHYL-2,6-DIOXO- |
| CAS: | 5614-56-2 |
| English Synonyms: | 1-THEOBROMINEACETIC ACID ; (3,7-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-1-YL)ACETIC ACID ; 2,3,6,7-TETRAHYDRO-3,7-DIMETHYL-2,6-DIOXO-1H-PURINE-1-ACETIC ACID ; 1H-PURINE-1-ACETIC ACID, 2,3,6,7-TETRAHYDRO-3,7-DIMETHYL-2,6-DIOXO- |
| MDL Number.: | MFCD06655208 |
| H bond acceptor: | 8 |
| H bond donor: | 1 |
| Smile: | Cn1cnc2c1c(=O)n(c(=O)n2C)CC(=O)O |
| InChi: | InChI=1S/C9H10N4O4/c1-11-4-10-7-6(11)8(16)13(3-5(14)15)9(17)12(7)2/h4H,3H2,1-2H3,(H,14,15) |
| InChiKey: | InChIKey=YCTSCXLOPJCPDH-UHFFFAOYSA-N |
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