8YN
Summary
Name: | Pseudoisocytidine |
Formula: | C9 H14 N3 O7 P |
Formal charge: | 0 |
Formula weight: | 307.197 Da |
Component type: | DNA linking |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-pyrimidin-5-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C9H14N3O7P/c10-9-11-2-4(8(14)12-9)6-1-5(13)7(19-6)3-18-20(15,16)17/h2,5-7,13H,1,3H2,(H2,15,16,17)(H3,10,11,12,14)/t5-,6+,7+/m0/s1 |
InChIKey | InChI | 1.03 | LMPCXRMBUOVHQD-RRKCRQDMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC=C([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)N1 |
SMILES | CACTVS | 3.385 | NC1=NC=C([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]([C@H](O[C@H]1C2=CN=C(NC2=O)N)COP(=O)(O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(OC1C2=CN=C(NC2=O)N)COP(=O)(O)O)O |