| PDB CCD ID: | Q7J |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C12 H18 N4 O6 |
| InChI: | InChI=1S/C12H18N4O6/c1-6(18)4-13-9-10(15-12(22)16-11(9)21)14-5-8(20)7(19)2-3-17/h4,7-8,17,19-20H,2-3,5H2,1H3,(H3,14,15,16,21,22)/b13-4+/t7-,8+/m1/s1 |
| InChIKey: | LFFDRPXUQKVYPE-ZGBHKRMMSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | C=1(NC(=O)NC(C=1N=[C@H]C(C)=O)=O)NCC(O)C(CCO)O | | OpenEye OEToolkits 2.0.7 | CC(=O)C=NC1=C(NC(=O)NC1=O)NCC(C(CCO)O)O | | CACTVS 3.385 | CC(=O)C=NC1=C(NC[CH](O)[CH](O)CCO)NC(=O)NC1=O | | OpenEye OEToolkits 2.0.7 | CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H](CCO)O)O | | CACTVS 3.385 | CC(=O)C=NC1=C(NC[C@H](O)[C@H](O)CCO)NC(=O)NC1=O |
|
| Name: | 1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol |
umich.edu