NXB
Summary
| Name: | (2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol |
| Formula: | C11 H16 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 280.283 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H16N6O3/c12-5-2-20-6(9(19)8(5)18)1-17-4-16-7-10(13)14-3-15-11(7)17/h3-6,8-9,18-19H,1-2,12H2,(H2,13,14,15)/t5-,6-,8-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | YFNWLMALNRKCLH-GCXDCGAKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1CO[C@H](Cn2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | N[CH]1CO[CH](Cn2cnc3c(N)ncnc23)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(cn2)C[C@@H]3[C@@H]([C@@H]([C@@H](CO3)N)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(cn2)CC3C(C(C(CO3)N)O)O)N |
