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CHEBI:42928 - 8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE
| Formula | C18H21IN6O2S |
| Net Charge | 0 |
| Average Mass | 512.377 |
| Monoisotopic Mass | 512.04914 |
| SMILES | CC(C)NCCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21 |
| InChI | InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) |
| InChIKey | SUPVGFZUWFMATN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE (CHEBI:42928) is a aryl sulfide (CHEBI:35683) |
| Synonyms | Source |
|---|---|
| 8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE | PDBeChem |
| 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-{3-[(1-methylethyl)amino]propyl}-9H-purin-6-amine | PDBeChem |