4EN
Summary
Name: | [(2R,3S,5R)-5-(4-azanylpyrazolo[3,4-d]pyrimidin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Formula: | C10 H14 N5 O6 P |
Formal charge: | 0 |
Formula weight: | 331.222 Da |
Component type: | DNA LINKING |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.7.6 | [(2R,3S,5R)-5-(4-azanylpyrazolo[3,4-d]pyrimidin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C10H14N5O6P/c11-9-5-2-15(14-10(5)13-4-12-9)8-1-6(16)7(21-8)3-20-22(17,18)19/h2,4,6-8,16H,1,3H2,(H2,17,18,19)(H2,11,12,13,14)/t6-,7+,8+/m0/s1 |
InChIKey | InChI | 1.03 | FDWHQNINLXXWJY-XLPZGREQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2nn(cc12)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3 |
SMILES | CACTVS | 3.385 | Nc1ncnc2nn(cc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c2c(ncnc2nn1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1c2c(ncnc2nn1C3CC(C(O3)COP(=O)(O)O)O)N |