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7D7

Summary
Name:[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)oxetane-2,3-diyl]dimethanol
Synonyms:OXETANOCIN
Formula:C10 H13 N5 O3
Formal charge:0
Formula weight:251.242 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)oxetane-2,3-diyl]dimethanol
OpenEye OEToolkits2.0.6[(2~{R},3~{R},4~{S})-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)oxetan-3-yl]methanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O1C(C(C1CO)CO)n2c3c(nc2)c(N)ncn3
InChIInChI1.03InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(2-17)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6-,10-/m1/s1
InChIKeyInChI1.03LMJVXGOFWKVXAW-OXOINMOOSA-N
SMILES_CANONICALCACTVS3.385Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@H]3CO
SMILESCACTVS3.385Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH]3CO
SMILES_CANONICALOpenEye OEToolkits2.0.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)CO)CO)N
SMILESOpenEye OEToolkits2.0.6c1nc(c2c(n1)n(cn2)C3C(C(O3)CO)CO)N

222415

數據於2024-07-10公開中

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