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CDY

Summary
Name:2-CHLORODIDEOXYADENOSINE
Formula:C10 H12 Cl N5 O2
Formal charge:0
Formula weight:269.688 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04[(2S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)tetrahydrofuran-2-yl]methanol
OpenEye OEToolkits1.5.0[(2S,5R)-5-(6-amino-2-chloro-purin-9-yl)oxolan-2-yl]methanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1nc(c2ncn(c2n1)C3OC(CC3)CO)N
SMILES_CANONICALCACTVS3.341Nc1nc(Cl)nc2n(cnc12)[C@H]3CC[C@@H](CO)O3
SMILESCACTVS3.341Nc1nc(Cl)nc2n(cnc12)[CH]3CC[CH](CO)O3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1nc2c(nc(nc2n1[C@H]3CC[C@H](O3)CO)Cl)N
SMILESOpenEye OEToolkits1.5.0c1nc2c(nc(nc2n1C3CCC(O3)CO)Cl)N
InChIInChI1.03InChI=1S/C10H12ClN5O2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2,(H2,12,14,15)/t5-,6+/m0/s1
InChIKeyInChI1.03FNLILOONPKMGST-NTSWFWBYSA-N

218500

PDB entries from 2024-04-17

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