J03
Summary
| Name: | (2~{R},3~{S},5~{R})-5-(2-azanyl-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol |
| Formula: | C11 H15 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 281.268 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S},5~{R})-5-(2-azanyl-6-methoxy-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H15N5O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)/t5-,6+,7+/m0/s1 |
| InChIKey | InChI | 1.03 | BCKDNMPYCIOBTA-RRKCRQDMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1nc(N)nc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO)O3 |
| SMILES | CACTVS | 3.385 | COc1nc(N)nc2n(cnc12)[CH]3C[CH](O)[CH](CO)O3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1c2c(nc(n1)N)n(cn2)C3CC(C(O3)CO)O |
