| PDB CCD ID: | XCI |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C10 H15 N2 O6 P Se |
| InChI: | InChI=1S/C10H15N2O6PSe/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(18-8)4-20-19(16)17/h3,6-8,13,16-17H,2,4H2,1H3,(H,11,14,15)/t6-,7+,8+/m0/s1 |
| InChIKey: | HCHHJSSYSFJUHX-XLPZGREQSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC1=CN(C(=O)NC1=O)C2CC(C(O2)C[Se]P(O)O)O | | CACTVS 3.385 | CC1=CN([C@H]2C[C@H](O)[C@@H](C[Se]P(O)O)O2)C(=O)NC1=O | | OpenEye OEToolkits 2.0.7 | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C[Se]P(O)O)O | | CACTVS 3.385 | CC1=CN([CH]2C[CH](O)[CH](C[Se]P(O)O)O2)C(=O)NC1=O |
|
| Name: | [(2~{S},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methylselanylphosphonous acid |
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