7-Deazaxanthine
Product Specifications
- CAS
- 39929-79-8
- Molecular Formula
- C6H5N3O2
- Appearance
- beige solid
- Synonym(s)
- 4-hydroxy-1,5-dihydropyrrolo[3,2-d]pyrimidin-6-one; 1,7-dihydro-2H-pyrrolo[2,3-d]pyrimidine-2,4(3H)-dione; 1H-Pyrrolo-[2,3-D]-Pyrimidine-2,4(3H,7H)-Dione; 1,7-DihydroI-Pyrrolo[2,3-D]pyrimidine-2,4-DioneI; 2,4-Dihydroxy-1H-pyrrolo[2,3-d]pyrimidine;2,4-Dihydroxy-7-deazapurine; 7H-Pyrrolo[2,3-d]pyrimidine-2,4-diol
- Shipping
- ambient temperature
- Storage
- 2-8°C
- SMILES
- C1=CNC2=C1C(=O)NC(=O)N2
- InChI
- InChI=1S/C6H5N3O2/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)
Product Information
7-Deazaxanthine is the PubChem Title associated with CAS 39929-79-8, molecular formula C6H5N3O2, and molecular weight 151.12. The CAS resolves to one compound, CID 11819216. PubChem gives SMILES C1=CNC2=C1C(=O)NC(=O)N2 and InChIKey HASUWNAFLUMMFI-UHFFFAOYSA-N. Its live synonym set includes 7H-pyrrolo[2,3-d]pyrimidine-2,4-diol, while the IUPAC name is 1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione.
The fused pyrrolo[2,3-d]pyrimidine system contains three nitrogens and six carbons. In the standardized graph, oxygens appear as carbonyls at positions 2 and 4, with the hydrogen distribution expressed by the 1,7-dihydro dione name. PubChem links the catalog's diol wording to the same CID and standard InChI, so the page can preserve it as a tautomeric synonym while displaying the preferred title. This identity is a single neutral component without a salt fragment, and no stereochemical descriptor is encoded.
For an inquiry involving this record, send Rlavie CAS 39929-79-8, the 7-deazaxanthine title, and the requested quantity. A MOL or SDF structure file can be compared with PubChem CID 11819216, the recorded SMILES, and InChIKey HASUWNAFLUMMFI-UHFFFAOYSA-N before request-specific details are considered. When another source presents the diol label, keep the CID or standard structure identifier with the name rather than assuming a separate positional isomer. Formula C6H5N3O2 alone cannot communicate the fused-ring bond pattern or hydrogen placement fully.