229
Summary
| Name: | 7-({[(1R,2S)-2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL]AMINO}METHYL)-3,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE |
| Formula: | C11 H16 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 268.269 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 7-({[(1R,2S)-2,3-dihydroxy-1-(hydroxymethyl)propyl]amino}methyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| OpenEye OEToolkits | 1.5.0 | 7-[[[(2R,3S)-1,3,4-trihydroxybutan-2-yl]amino]methyl]-3,5-dihydropyrrolo[2,3-e]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2c(N=CN1)c(cn2)CNC(C(O)CO)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@H](O)[C@@H](CO)NCc1c[nH]c2C(=O)NC=Nc12 |
| SMILES | CACTVS | 3.341 | OC[CH](O)[CH](CO)NCc1c[nH]c2C(=O)NC=Nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(c2c([nH]1)C(=O)NC=N2)CN[C@H](CO)[C@@H](CO)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(c2c([nH]1)C(=O)NC=N2)CNC(CO)C(CO)O |
| InChI | InChI | 1.03 | InChI=1S/C11H16N4O4/c16-3-7(8(18)4-17)12-1-6-2-13-10-9(6)14-5-15-11(10)19/h2,5,7-8,12-13,16-18H,1,3-4H2,(H,14,15,19)/t7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | CGYSFECPLYEOMH-HTQZYQBOSA-N |
