ZIR

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Summary

Name:N-(3-methylbut-2-en-1-yl)adenosine
Formula:C15 H21 N5 O4
Formal charge:0
Molecular weight:335.358 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(3-methylbut-2-en-1-yl)adenosine
OpenEye OEToolkits1.7.2(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolane-3,4-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)NC\C=C(/C)C
SMILES_CANONICALCACTVS3.370CC(C)=CCNc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
SMILESCACTVS3.370CC(C)=CCNc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
SMILES_CANONICALOpenEye OEToolkits1.7.2CC(=CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C
SMILESOpenEye OEToolkits1.7.2CC(=CCNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O)C
InChIInChI1.03InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1
InChIKeyInChI1.03USVMJSALORZVDV-SDBHATRESA-N