| PDB CCD ID: | Q84 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C12 H18 N4 O6 |
| InChI: | InChI=1S/C12H18N4O6/c1-6(18)4-14-9-10(15-12(22)16-11(9)21)13-3-2-7(19)8(20)5-17/h4,7-8,17,19-20H,2-3,5H2,1H3,(H3,13,15,16,21,22)/b14-4+/t7-,8+/m0/s1 |
| InChIKey: | FZDZNUDZZWQFOO-SSOFNSMFSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | CC(=O)/C=N/C=1C(=O)NC(NC=1NCCC(C(O)CO)O)=O | | OpenEye OEToolkits 2.0.7 | CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCC[C@@H]([C@@H](CO)O)O | | CACTVS 3.385 | CC(=O)C=NC1=C(NCC[CH](O)[CH](O)CO)NC(=O)NC1=O | | OpenEye OEToolkits 2.0.7 | CC(=O)C=NC1=C(NC(=O)NC1=O)NCCC(C(CO)O)O | | CACTVS 3.385 | CC(=O)C=NC1=C(NCC[C@H](O)[C@H](O)CO)NC(=O)NC1=O |
|
| Name: | 1,2-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol |
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