| PDB CCD ID: | DIH |
| Number of entries in BioLiP: | 43 |
| Chemical formula: | C12 H17 N4 O3 |
| InChI: | InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/p+1/t8-,9+/m1/s1 |
| InChIKey: | AFNHHLILYQEHKK-BDAKNGLRSA-O |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3CC(C(C3)O)CO | | OpenEye OEToolkits 2.0.6 | c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3C[C@@H]([C@H](C3)O)CO | | CACTVS 3.385 | OC[CH]1C[NH+](C[CH]1O)Cc2c[nH]c3C(=O)NC=Nc23 | | CACTVS 3.385 | OC[C@H]1C[NH+](C[C@@H]1O)Cc2c[nH]c3C(=O)NC=Nc23 |
|
| Name: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one |
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