2KU
Summary
| Name: | N-(3-METHOXYPROPYL)-9H-PURIN-6-AMINE |
| Formula: | C9 H13 N5 O |
| Formal charge: | 0 |
| Formula weight: | 207.232 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-methoxypropyl)-9H-purin-6-amine |
| OpenEye OEToolkits | 1.7.0 | N-(3-methoxypropyl)-9H-purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c1c(ncn1)c(nc2)NCCCOC |
| SMILES_CANONICAL | CACTVS | 3.370 | COCCCNc1ncnc2[nH]cnc12 |
| SMILES | CACTVS | 3.370 | COCCCNc1ncnc2[nH]cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COCCCNc1c2c([nH]cn2)ncn1 |
| SMILES | OpenEye OEToolkits | 1.7.0 | COCCCNc1c2c([nH]cn2)ncn1 |
| InChI | InChI | 1.03 | InChI=1S/C9H13N5O/c1-15-4-2-3-10-8-7-9(12-5-11-7)14-6-13-8/h5-6H,2-4H2,1H3,(H2,10,11,12,13,14) |
| InChIKey | InChI | 1.03 | BUGJFSHIPBSLKT-UHFFFAOYSA-N |
