| PDB CCD ID: | CC7 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C9 H12 N3 O7 P |
| InChI: | InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1 |
| InChIKey: | WCPTXJJVVDAEMW-XVFCMESISA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | NC1=NC(=O)N(C=C1)[CH]2O[CH]3CO[P](O)(=O)O[CH]3[CH]2O | | OpenEye OEToolkits 1.5.0 | C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O[P@](=O)(O1)O | | OpenEye OEToolkits 1.5.0 | C1C2C(C(C(O2)N3C=CC(=NC3=O)N)O)OP(=O)(O1)O | | CACTVS 3.341 | NC1=NC(=O)N(C=C1)[C@@H]2O[C@@H]3CO[P@@](O)(=O)O[C@H]3[C@H]2O | | ACDLabs 10.04 | O=C1N=C(N)C=CN1C3OC2COP(=O)(OC2C3O)O |
|
| Name: | 4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one |
| ChEMBL: | CHEMBL72442 |
| ZINC: | ZINC000004095499 |
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