H5V
Summary
| Name: | 7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula: | C12 H16 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 280.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 2.0.6 | (2~{R},3~{R},4~{R},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyl-oxolane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(C(OC1CO)n3c2c(c(ncn2)N)cc3)(C)O |
| InChI | InChI | 1.03 | InChI=1S/C12H16N4O4/c1-12(19)8(18)7(4-17)20-11(12)16-3-2-6-9(13)14-5-15-10(6)16/h2-3,5,7-8,11,17-19H,4H2,1H3,(H2,13,14,15)/t7-,8-,11-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | IRZRJANZDIOOIF-GAJNKVMBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n2ccc3c(N)ncnc23 |
| SMILES | CACTVS | 3.385 | C[C]1(O)[CH](O)[CH](CO)O[CH]1n2ccc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@]1([C@@H]([C@H](O[C@H]1n2ccc3c2ncnc3N)CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1(C(C(OC1n2ccc3c2ncnc3N)CO)O)O |
