| PDB CCD ID: | 229 |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C11 H16 N4 O4 |
| InChI: | 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: | CGYSFECPLYEOMH-HTQZYQBOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1c(c2c([nH]1)C(=O)NC=N2)CN[C@H](CO)[C@@H](CO)O | | CACTVS 3.341 | OC[CH](O)[CH](CO)NCc1c[nH]c2C(=O)NC=Nc12 | | OpenEye OEToolkits 1.5.0 | c1c(c2c([nH]1)C(=O)NC=N2)CNC(CO)C(CO)O | | ACDLabs 10.04 | O=C1c2c(N=CN1)c(cn2)CNC(C(O)CO)CO | | CACTVS 3.341 | OC[C@@H](O)[C@@H](CO)NCc1c[nH]c2C(=O)NC=Nc12 |
|
| Name: | 7-({[(1R,2S)-2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL]AMINO}METHYL)-3,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE |
| ChEMBL: | CHEMBL475537 |
| ZINC: | ZINC000096900972 |
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