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67013-98-3 , Cytarazid,
CAS:67013-98-3
C9H12N6O4 / 268.229
| CAS Number | 67013-98-3 |
| Product Name | Cytarazid |
| IUPAC Name | 4-amino-1-[(2R,3S,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one |
| Molecular Formula | C9H12N6O4 |
| Molecular Weight | 268.229 g/mol |
| InChI | InChI=1S/C9H12N6O4/c10-5-1-2-15(9(18)12-5)8-6(13-14-11)7(17)4(3-16)19-8/h1-2,4,6-8,16-17H,3H2,(H2,10,12,18)/t4-,6+,7-,8-/m1/s1 |
| InChI Key | FEOYKPQEERVCAV-PXBUCIJWSA-N |
| SMILES | C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)N=[N+]=[N-] |
| Synonyms | cytarazid |
| Canonical SMILES | C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)N=[N+]=[N-] |
| Isomeric SMILES | C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[N-] |
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