A1KOZ
Summary
| Name: | (1~{R},2~{S},3~{R})-3-[(6-aminopurin-9-yl)methyl]-2-azanyl-cyclobutan-1-ol |
| Formula: | C10 H14 N6 O |
| Formal charge: | 0 |
| Formula weight: | 234.258 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{S},3~{R})-3-[(6-aminopurin-9-yl)methyl]-2-azanyl-cyclobutan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H14N6O/c11-7-5(1-6(7)17)2-16-4-15-8-9(12)13-3-14-10(8)16/h3-7,17H,1-2,11H2,(H2,12,13,14)/t5-,6-,7+/m1/s1 |
| InChIKey | InChI | 1.06 | RVJPKJVJTIRLGJ-QYNIQEEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1[C@H](O)C[C@@H]1Cn2cnc3c(N)ncnc23 |
| SMILES | CACTVS | 3.385 | N[CH]1[CH](O)C[CH]1Cn2cnc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(cn2)C[C@H]3C[C@H]([C@H]3N)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(cn2)CC3CC(C3N)O)N |
