MBP
Summary
| Name: | 1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-6-YL)OXY]-3-METHYL-2-BUTANOL |
| Formula: | C10 H13 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 235.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-[(2-amino-7H-purin-6-yl)oxy]-3-methylbutan-2-one |
| OpenEye OEToolkits | 1.5.0 | 1-[(2-amino-7H-purin-6-yl)oxy]-3-methyl-butan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C(C)C)COc1nc(nc2ncnc12)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C(=O)COc1nc(N)nc2nc[nH]c12 |
| SMILES | CACTVS | 3.341 | CC(C)C(=O)COc1nc(N)nc2nc[nH]c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C(=O)COc1c2c(nc[nH]2)nc(n1)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C(=O)COc1c2c(nc[nH]2)nc(n1)N |
| InChI | InChI | 1.03 | InChI=1S/C10H13N5O2/c1-5(2)6(16)3-17-9-7-8(13-4-12-7)14-10(11)15-9/h4-5H,3H2,1-2H3,(H3,11,12,13,14,15) |
| InChIKey | InChI | 1.03 | BEXUQVHWMLPYKY-UHFFFAOYSA-N |
