| PDB CCD ID: | IM5 |
| Number of entries in BioLiP: | 38 |
| Chemical formula: | C12 H17 N5 O3 |
| InChI: | InChI=1S/C12H17N5O3/c13-12-15-9-6(1-14-10(9)11(20)16-12)2-17-3-7(5-18)8(19)4-17/h1,7-8,14,18-19H,2-5H2,(H3,13,15,16,20)/t7-,8+/m1/s1 |
| InChIKey: | GSPTUGDLYPMLCQ-SFYZADRCSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3CC(C(C3)O)CO | | CACTVS 3.370 | NC1=Nc2c(CN3C[CH](O)[CH](CO)C3)c[nH]c2C(=O)N1 | | CACTVS 3.370 | NC1=Nc2c(CN3C[C@H](O)[C@@H](CO)C3)c[nH]c2C(=O)N1 | | ACDLabs 12.01 | O=C2NC(=Nc1c(cnc12)CN3CC(C(O)C3)CO)N | | OpenEye OEToolkits 1.7.6 | c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO |
|
| Name: | 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one;
DADMe-ImmG |
| ChEMBL: | CHEMBL475750 |
| ZINC: | ZINC000004846228 |
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