LHB
Summary
| Name: | 5-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]methyl]-4-azanyl-1-(methoxymethyl)pyrimidin-2-one |
| Formula: | C17 H23 N9 O5 |
| Formal charge: | 0 |
| Formula weight: | 433.422 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 5-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]methyl]-4-azanyl-1-(methoxymethyl)pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H23N9O5/c1-30-7-25-4-8(13(18)24-17(25)29)2-20-3-9-11(27)12(28)16(31-9)26-6-23-10-14(19)21-5-22-15(10)26/h4-6,9,11-12,16,20,27-28H,2-3,7H2,1H3,(H2,18,24,29)(H2,19,21,22)/t9-,11-,12-,16-/m1/s1 |
| InChIKey | InChI | 1.03 | XNIWXZNBHJGVPA-UBEDBUPSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCN1C=C(CNC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34)C(=NC1=O)N |
| SMILES | CACTVS | 3.385 | COCN1C=C(CNC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(=NC1=O)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | COCN1C=C(C(=NC1=O)N)CNC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | COCN1C=C(C(=NC1=O)N)CNCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O |
