6PB
Summary
| Name: | 6-(3-bromophenyl)-7H-purin-2-amine |
| Formula: | C11 H8 Br N5 |
| Formal charge: | 0 |
| Formula weight: | 290.119 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(3-bromophenyl)-7H-purin-2-amine |
| OpenEye OEToolkits | 1.7.0 | 6-(3-bromophenyl)-7H-purin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc3cccc(c1nc(nc2ncnc12)N)c3 |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1nc2nc[nH]c2c(n1)c3cccc(Br)c3 |
| SMILES | CACTVS | 3.370 | Nc1nc2nc[nH]c2c(n1)c3cccc(Br)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)Br)c2c3c(nc[nH]3)nc(n2)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)Br)c2c3c(nc[nH]3)nc(n2)N |
| InChI | InChI | 1.03 | InChI=1S/C11H8BrN5/c12-7-3-1-2-6(4-7)8-9-10(15-5-14-9)17-11(13)16-8/h1-5H,(H3,13,14,15,16,17) |
| InChIKey | InChI | 1.03 | OBKRZWFDMHKSFJ-UHFFFAOYSA-N |
