MZO
Summary
| Name: | N-(3-methoxyphenyl)-9H-purin-6-amine |
| Formula: | C12 H11 N5 O |
| Formal charge: | 0 |
| Formula weight: | 241.249 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(3-methoxyphenyl)-9H-purin-6-amine |
| OpenEye OEToolkits | 1.5.0 | N-(3-methoxyphenyl)-9H-purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2c1c(ncn1)c(nc2)Nc3cccc(OC)c3 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1cccc(Nc2ncnc3[nH]cnc23)c1 |
| SMILES | CACTVS | 3.341 | COc1cccc(Nc2ncnc3[nH]cnc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cccc(c1)Nc2c3c([nH]cn3)ncn2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1cccc(c1)Nc2c3c([nH]cn3)ncn2 |
| InChI | InChI | 1.03 | InChI=1S/C12H11N5O/c1-18-9-4-2-3-8(5-9)17-12-10-11(14-6-13-10)15-7-16-12/h2-7H,1H3,(H2,13,14,15,16,17) |
| InChIKey | InChI | 1.03 | AXPCHVXFDHPTBW-UHFFFAOYSA-N |
