B61
Summary
| Name: | 2-amino-6-(2-hydroxy-2-methylpropyl)-8-methyl-7,8-dihydropteridin-4(3H)-one |
| Formula: | C11 H17 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 251.285 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-6-(2-hydroxy-2-methylpropyl)-8-methyl-7,8-dihydropteridin-4(3H)-one |
| OpenEye OEToolkits | 1.5.0 | 2-amino-6-(2-hydroxy-2-methyl-propyl)-8-methyl-3,7-dihydropteridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=NC=2N(CC(=NC1=2)CC(O)(C)C)C)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CN1CC(=NC2=C1N=C(N)NC2=O)CC(C)(C)O |
| SMILES | CACTVS | 3.341 | CN1CC(=NC2=C1N=C(N)NC2=O)CC(C)(C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(CC1=NC2=C(N=C(NC2=O)N)N(C1)C)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(CC1=NC2=C(N=C(NC2=O)N)N(C1)C)O |
| InChI | InChI | 1.03 | InChI=1S/C11H17N5O2/c1-11(2,18)4-6-5-16(3)8-7(13-6)9(17)15-10(12)14-8/h18H,4-5H2,1-3H3,(H3,12,14,15,17) |
| InChIKey | InChI | 1.03 | WRSJTVSFGTWZBM-UHFFFAOYSA-N |
