BP1
Summary
Name: | 6-BROMO-7H-PURINE |
Synonyms: | BROMOPURINE |
Formula: | C5 H3 Br N4 |
Formal charge: | 0 |
Formula weight: | 199.008 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 6-bromo-7H-purine |
OpenEye OEToolkits | 1.5.0 | 6-bromo-7H-purine |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc1ncnc2ncnc12 |
SMILES_CANONICAL | CACTVS | 3.341 | Brc1ncnc2nc[nH]c12 |
SMILES | CACTVS | 3.341 | Brc1ncnc2nc[nH]c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1[nH]c2c(n1)ncnc2Br |
SMILES | OpenEye OEToolkits | 1.5.0 | c1[nH]c2c(n1)ncnc2Br |
InChI | InChI | 1.03 | InChI=1S/C5H3BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10) |
InChIKey | InChI | 1.03 | CTGFGRDVWBZYNB-UHFFFAOYSA-N |