EMU
Summary
| Name: | N-BENZYL-9H-PURIN-6-AMINE |
| Synonyms: | BENZYLAMINOPURINE |
| Formula: | C12 H11 N5 |
| Formal charge: | 0 |
| Formula weight: | 225.249 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-benzyl-9H-purin-6-amine |
| OpenEye OEToolkits | 1.5.0 | N-(phenylmethyl)-9H-purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2c1c(ncn1)c(nc2)NCc3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | C(Nc1ncnc2[nH]cnc12)c3ccccc3 |
| SMILES | CACTVS | 3.341 | C(Nc1ncnc2[nH]cnc12)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CNc2c3c([nH]cn3)ncn2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CNc2c3c([nH]cn3)ncn2 |
| InChI | InChI | 1.03 | InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17) |
| InChIKey | InChI | 1.03 | NWBJYWHLCVSVIJ-UHFFFAOYSA-N |
