DP

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Summary

Name:[(2~{R},3~{S},5~{R})-5-(2-azanyl-4-oxidanylidene-imidazo[1,2-a][1,3,5]triazin-8-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:C10 H14 N5 O7 P
Formal charge:0
Molecular weight:347.221 Da
Component type:DNA linking

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6[(2~{R},3~{S},5~{R})-5-(2-azanyl-4-oxidanylidene-imidazo[1,2-a][1,3,5]triazin-8-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C10H14N5O7P/c11-8-12-9-14(1-2-15(9)10(17)13-8)7-3-5(16)6(22-7)4-21-23(18,19)20/h1-2,5-7,16H,3-4H2,(H2,11,13,17)(H2,18,19,20)/t5-,6+,7+/m0/s1
InChIKeyInChI1.03DRTOAYSVOYBQME-RRKCRQDMSA-N
SMILES_CANONICALCACTVS3.385NC1=NC(=O)N2C=CN([C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)C2=N1
SMILESCACTVS3.385NC1=NC(=O)N2C=CN([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C2=N1
SMILES_CANONICALOpenEye OEToolkits2.0.6C1[C@@H]([C@H](O[C@H]1N2C=CN3C2=NC(=NC3=O)N)COP(=O)(O)O)O
SMILESOpenEye OEToolkits2.0.6C1C(C(OC1N2C=CN3C2=NC(=NC3=O)N)COP(=O)(O)O)O
167518
PDB entries from 2020-08-12