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Summary

Name:1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine
Formula:C13 H17 N5 O6
Formal charge:0
Molecular weight:339.304 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine
OpenEye OEToolkits1.7.61-[[1-[(2R,3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,2,3-triazol-4-yl]methyl]-5-methyl-pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1C(=CN(C(=O)N1)Cc2nnn(c2)C3OC(C(O)C3O)CO)C
InChIInChI1.03InChI=1S/C13H17N5O6/c1-6-2-17(13(23)14-11(6)22)3-7-4-18(16-15-7)12-10(21)9(20)8(5-19)24-12/h2,4,8-10,12,19-21H,3,5H2,1H3,(H,14,22,23)/t8-,9-,10+,12+/m0/s1
InChIKeyInChI1.03FVDUYFCPFLONHE-UXCLJVHYSA-N
SMILES_CANONICALCACTVS3.370CC1=CN(Cc2cn(nn2)[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)C(=O)NC1=O
SMILESCACTVS3.370CC1=CN(Cc2cn(nn2)[CH]3O[CH](CO)[CH](O)[CH]3O)C(=O)NC1=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC1=CN(C(=O)NC1=O)Cc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O
SMILESOpenEye OEToolkits1.7.6CC1=CN(C(=O)NC1=O)Cc2cn(nn2)C3C(C(C(O3)CO)O)O